1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-
Basic information
- CAS
72553-68-5- Standard SMILES
CC(O)Cn1nnc2ccccc2c1=O- InChIKey
FKARCXPGASOGLA-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.0851266
Names & identifiers
- Preferred name
- 1,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-
- IUPAC
- 3-(2-hydroxypropyl)-1,2,3-benzotriazin-4-one
Names & synonyms
72553-68-5NSC3435031,2,3-Benzotriazin-4(3H)-one, 3-(2-hydroxypropyl)-DTXSID80319283NSC-3435033-(2-Hydroxypropyl)-1,2,3-benzotriazin-4(3H)-one
Database identifiers
- CAS
72553-68-5- PubChem CID
- 335131
- DTXSID
DTXSID80319283
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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