Molecule ID: 76953

IUPAC Name: 4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide

Description: The molecule is a monocarboxylic acid amide that is dacarbazine in which one of the methyl groups is replaced by a hydrogen. It is the active metabolite of dacarbazine, and is also produced by spontaneous hydrolysis of temozolomide in the body. It has a role as an alkylating agent and an antineoplastic agent. It is a monocarboxylic acid amide, a member of imidazoles and a triazene derivative.

SMILES: CN=NNc1[nH]cnc1C(N)=O

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

InChI: InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.6