Molecule ID: 135413511

IUPAC Name: 1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine

Description: The molecule is a member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4. It has a role as an antineoplastic agent, an apoptosis inducer and an antibacterial agent. It is a N-oxide, a member of benzotriazines and an aromatic amine. It derives from a 1,2,4-benzotriazine.

SMILES: C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]

SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N+1][=Branch1][#Branch2][=C][Branch1][=Branch1][N][=N+1][Ring1][#Branch1][O-1][N][O-1]

InChI: InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: -0.3