1,3-Dimethyl diethylphosphoryl triazene (DMP)

ID: ALA85702

Chembl Id: CHEMBL85702

Cas Number: 103711-39-3

PubChem CID: 190593

Max Phase: Preclinical

Molecular Formula: C6H16N3O3P

Molecular Weight: 209.19

Molecule Type: Small molecule

Names and Identifiers

Synonyms: 1,3-Dimethyl Diethylphosphoryl Triazene(Dmp) | 103711-39-3|1-Triazene, 3-(diethoxyphosphinyl)-1,3-dimethyl-|NSC-378856|N-diethoxyphosphoryl-N-(methyldiazenyl)methanamine|NSC378856|NSC 378856|ZV6R7WP4F2|CHEMBL85702|1,3-Dimethyl diethylphosphoryl triazene(DMP)|3-(DIETHOXYPHOSPHORYL)-1,3-DIMETHYLTRIAZ-1-ENE

Canonical SMILES:  CCOP(=O)(OCC)N(C)/N=N\C

Standard InChI:  InChI=1S/C6H16N3O3P/c1-5-11-13(10,12-6-2)9(4)8-7-3/h5-6H2,1-4H3/b8-7-

Standard InChI Key:  BARCMKNJTPZIIK-FPLPWBNLSA-N

Alternative Forms

1. Parent:

   

   ALA85702

   1-Triazene, 3-(diethoxyphosphinyl)-1,3-dimethyl-

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: 209.19

Molecular Weight (Monoisotopic): 209.0929

AlogP: 2.10

#Rotatable Bonds: 6

Polar Surface Area: 63.49

Molecular Species: NEUTRAL

HBA: 5

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 0.94

CX LogD: 0.94

Aromatic Rings: ┄

Heavy Atoms: 13

QED Weighted: 0.38

Np Likeness Score: -0.15

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