Tirapazamine
1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
Molecular Identity
Tirapazamine
1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
PubChem CID: 135413511
Tirapazamine 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 antibacterial agent, an antineoplastic agent and an apoptosis inducer. It is an aromatic amine, a N-oxide and a member of benzotriazines. It is functionally related to a 1,2,4-benzotriazine.
2D Structure
Properties
C7H6N4O2
Molecular Formula
178.15
Molecular Weight
g/mol
178.0491
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
89.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
191
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]Isomeric SMILES
SMILES: C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]Synonyms(20)
TIRAPAZAMINE27314-97-23-Amino-1,2,4-benzotriazine 1,4-dioxideTirazoneWin-59075SR-42331,2,4-Benzotriazin-3-amine, 1,4-dioxideWIN 59075SR 4233SR-259075Win59075tirapazamina3-Amino-1,2,4-benzotriazine-1,4-dioxideSR4233NSC-130181
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tirapazamine
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