Molecule ID: 3878

IUPAC Name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

Description: The molecule is a member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6. It has a role as an anticonvulsant, an antimanic drug, an antidepressant, a non-narcotic analgesic, a calcium channel blocker, an excitatory amino acid antagonist, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an environmental contaminant and a xenobiotic. It is a member of 1,2,4-triazines, a primary arylamine and a dichlorobenzene.

SMILES: N=c1nnc(-c2cccc(Cl)c2Cl)c(N)[nH]1

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

InChI: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)

Molecular Properties:
- Polar Surface Area: 90.7 Ų
- LogP: 1.4