1,3-Dimethyl N-methylcarbamoyl triazene (DMM)

ID: ALA86892

Chembl Id: CHEMBL86892

Max Phase: Preclinical

Molecular Formula: C4H10N4O

Molecular Weight: 130.15

Molecule Type: Small molecule

Names and Identifiers

Synonyms: 1,3-Dimethyl N-Methylcarbamoyl Triazene(Dmm)

Canonical SMILES:  C/N=N\N(C)C(=O)NC

Standard InChI:  InChI=1S/C4H10N4O/c1-5-4(9)8(3)7-6-2/h1-3H3,(H,5,9)/b7-6-

Standard InChI Key:  NEXBHNSUHRMPFL-SREVYHEPSA-N

Alternative Forms

1. Parent:

   

   ALA86892

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 130.15

Molecular Weight (Monoisotopic): 130.0855

AlogP: 0.25

#Rotatable Bonds: 1

Polar Surface Area: 57.06

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 0.10

CX LogP: -0.07

CX LogD: -0.07

Aromatic Rings: ┄

Heavy Atoms: 9

QED Weighted: 0.40

Np Likeness Score: -0.76

References

1. Smith RH, Scudiero DA, Michejda CJ..  (1990)  1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents.,  33  (9): [PMID:2391696] [10.1021/jm00171a036]

Source

Source(1):

• Scientific Literature