Molecule ID: 68037

IUPAC Name: 2H-1,2,4-triazine-3,5-dione

Description: The molecule is a 1,2,4-triazine compound having oxo-substituents at the 3- and 5-positions. It has a role as an antimetabolite. It is a member of 1,2,4-triazines and a nucleobase analogue.

SMILES: Oc1cnnc(O)n1

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

InChI: InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)

Molecular Properties:
- Polar Surface Area: 70.6 Ų
- LogP: -0.6