Molecule ID: 135413636

IUPAC Name: 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one

Description: The molecule is a member of the class of 1,2,4-triazines that is metamitron in which the amino group has been replaced by a hydrogen atom. It is a metabolite of metamitron. It has a role as a marine xenobiotic metabolite. It derives from a metamitron.

SMILES: Cc1nnc(-c2ccccc2)c(O)n1

SELFIES: [C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][Ring1][=N]

InChI: InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)

Molecular Properties:
- Polar Surface Area: 53.8 Ų
- LogP: 1.0