Basic information
- CAS
5129-81-7- Standard SMILES
CC(=O)c1ccc(N2C(=O)Nc3ccccc3N2O)cc1- InChIKey
NLGZZKYCXBQTMV-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.09569129
Names & identifiers
- Preferred name
- 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
- IUPAC
- 2-(4-acetylphenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
Names & synonyms
2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one5129-81-7BAS 02098932DTXSID50353518AKOS000670462CCG-306250ST50260430AN-919/143830201-acetyl-4-(1-hydroxy-3-oxo(4H-benzo[e]1,2,4-triazin-2-yl))benzene
Database identifiers
- CAS
5129-81-7- PubChem CID
- 744206
- DTXSID
DTXSID50353518
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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