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Basic information
- CAS
111229-09-5- Standard SMILES
O=C(Cn1cncn1)c1ccccc1O- InChIKey
YVSQRWBRGKRJAP-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947653
Names & identifiers
- Preferred name
- 1-(2-Hydroxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
- IUPAC
- 1-(2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
Names & synonyms
111229-09-5DTXSID905792901-(2-Hydroxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-oneRefChem:223566DTXCID605300552'-hydroxy-2-(1,2,4-triazol-1-yl)acetophenoneCHEMBL255812SCHEMBL10563462YVSQRWBRGKRJAP-UHFFFAOYSA-N
Database identifiers
- CAS
111229-09-5- PubChem CID
- 15906360
- DTXSID
DTXSID90579290- ChEMBL
CHEMBL255812- Nikkaji
- J2.157.135K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
3 records
Compound notes
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