Molecule ID: 5351154

IUPAC Name: 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

Description: The molecule is a hydrazone obtained by formal condensation of the two carbonyl groups of methylglyoxal with the primary amino groups of two molecules of aminoguanidine. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor. It is a hydrazone and a member of guanidines. It derives from a methylglyoxal and an aminoguanidine. It is a conjugate base of a mitoguazone(2+).

SMILES: CC(/C=N/NC(=N)N)=N\NC(=N)N

SELFIES: [C][C][Branch1][=Branch2][/C][=N][/N][C][=Branch1][C][=N][N][=N][\N][C][=Branch1][C][=N][N]

InChI: InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: -2.2