3-Phenyl-benzo(1,2,4)triazine
Basic information
- CAS
6299-90-7- Standard SMILES
c1ccc(-c2nnc3ccccc3n2)cc1- InChIKey
ANTRTFJLKRDGLU-UHFFFAOYSA-N- Molecular formula
- C13H9N3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.0796473
Overview
3-phenyl-1,2,4-benzotriazine is a member of the class of benzotriazines that is 1,2,4-benzotriazine substituted by a phenyl group at position 3. It has a role as a bacterial metabolite. It is a member of benzenes and a member of benzotriazines.
Names & identifiers
- Preferred name
- 3-Phenyl-benzo(1,2,4)triazine
- IUPAC
- 3-phenyl-1,2,4-benzotriazine
Names & synonyms
6299-90-73-Phenyl-benzo(1,2,4)triazineDTXSID40212201NSC 450513-Phenyl-benzo[1,2,4]triazineRefChem:281778DTXCID001346923-phenyl-1,2,4-benzotriazine3-Phenylbenzo[e][1,2,4]triazineNSC45051CHEMBL83379SCHEMBL2851617
Show more names
3-phenylbenzo-1,2,4-triazineSCHEMBL29887199TQP0585CHEBI:2340953-phenylbenzo[e]1,2,4-triazineGAA29990NSC-45051AKOS024385451
Database identifiers
- CAS
6299-90-7- PubChem CID
- 239695
- DTXSID
DTXSID40212201- ChEMBL
CHEMBL83379- ChEBI
CHEBI:234095- Nikkaji
- J239.894J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
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Related reactions
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Compound notes
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