Molecule ID: 2942

IUPAC Name: 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide

Description: The molecule is a monocarboxylic acid amide that is 1H-imidazole-4-carboxamide which is substituted at position 5 by a 3,3-dimethyltriaz-1-en-1-yl group. It is used for the treatment of metastatic malignant melanoma, and in combination with other drugs for the treatment of Hodgkin's disease and soft-tissue sarcoma. It has a role as an antineoplastic agent, an alkylating agent, a prodrug and a carcinogenic agent. It is a monocarboxylic acid amide, a member of imidazoles and a triazene derivative.

SMILES: CN(C)N=Nc1[nH]cnc1C(N)=O

SELFIES: [C][N][Branch1][C][C][N][=N][C][NH1][C][=N][C][=Ring1][Branch1][C][Branch1][C][N][=O]

InChI: InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)

Molecular Properties:
- Polar Surface Area: 99.7 Ų
- LogP: -0.6