Molecule ID: 15078

IUPAC Name: 1H-1,2,4-triazole-3,5-diamine

Description: The molecule is an aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups. It has a role as an antineoplastic agent, an EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor and a DNA synthesis inhibitor. It is a member of triazoles and an aromatic amine.

SMILES: N=c1[nH][nH]c(=N)[nH]1

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

InChI: InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)

Molecular Properties:
- Polar Surface Area: 93.6 Ų
- LogP: -0.7