Compounds

ALA543197

Name:
(2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propyl-amiShow More⌵

Mol. Formula:
C16H20ClN5S

M.W.:
349.89

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
55.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA135480

Name:
N'-(2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimShow More⌵

Mol. Formula:
C15H18N6S

M.W.:
314.42

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
58.35

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA135427

Name:
2-Benzylsulfanyl-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C18H21N5S

M.W.:
339.47

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
46.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA135701

Name:
2-Benzylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C14H14N4S

M.W.:
270.36

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA337734

Name:
2-Isobutylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C11H16N4S

M.W.:
236.34

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA336867

Name:
5,7-Dimethyl-2-propylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C10H14N4S

M.W.:
222.32

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA135545

Name:
2-Isopropylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C10H14N4S

M.W.:
222.32

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA334593

Name:
2-Benzylsulfanyl-7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C13H11ClN4S

M.W.:
290.78

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA434430

Name:
2-Benzylsulfanyl-7-propylamino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxyliShow More⌵

Mol. Formula:
C18H21N5O2S

M.W.:
371.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
81.41

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA132925

Name:
2-Benzylsulfanyl-7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxShow More⌵

Mol. Formula:
C19H21N5O3S

M.W.:
399.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
81.85

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA134711

Name:
2-Benzylsulfanyl-7-hydroxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acShow More⌵

Mol. Formula:
C15H14N4O3S

M.W.:
330.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
89.61

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA132696

Name:
4-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-benzoicShow More⌵

Mol. Formula:
C15H14N4O2S

M.W.:
314.37

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
80.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA135865

Name:
2-[(2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-hydrShow More⌵

Mol. Formula:
C17H21N5O2S

M.W.:
359.46

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
86.78

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA136001

Name:
2-(4-Chloro-benzylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C14H13ClN4S

M.W.:
304.81

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA136000

Name:
(2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-dimethyl-aShow More⌵

Mol. Formula:
C15H17N5S

M.W.:
299.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
46.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA344618

Name:
(2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-diethyl-amShow More⌵

Mol. Formula:
C17H21N5S

M.W.:
327.46

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
46.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA334644

Name:
2-Benzylsulfanyl-5-methyl-7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C17H19N5OS

M.W.:
341.44

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
55.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA135511

Name:
5,7-Dimethyl-2-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C13H13N5S

M.W.:
271.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
55.97

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA135510

Name:
5,7-Dimethyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C13H13N5S

M.W.:
271.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
55.97

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA135763

Name:
5,7-Dimethyl-2-phenethylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Mol. Formula:
C15H16N4S

M.W.:
284.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS