1-(4-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Basic information
- CAS
89082-07-5- Standard SMILES
COc1ccc(C(=O)Cn2cncn2)cc1- InChIKey
VIEZOAOPEPPATJ-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.08512659
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
- IUPAC
- 1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
Names & synonyms
89082-07-51-(4-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanoneSCHEMBL10559569DTXSID20550411VIEZOAOPEPPATJ-UHFFFAOYSA-N1-(4-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one1- (4-methoxyphenyl)-2-(1H-1,2,4-triazole-1-yl) ethanone1-(4-methoxyphenyl)-2-(1H-1,2,4-triazole-1-yl) ethanone
Database identifiers
- CAS
89082-07-5- PubChem CID
- 13816005
- DTXSID
DTXSID20550411- Nikkaji
- J1.327.248D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
3 records
Compound notes
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