1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
Basic information
- CAS
110577-54-3- Standard SMILES
COc1ccc(CC(C(=O)n2cncn2)C(C)(C)C)cc1- InChIKey
YSUZUUMCYNAWBL-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
- IUPAC
- 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one
Names & synonyms
110577-54-31H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-DTXSID109117592-[(4-Methoxyphenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-1-one
Database identifiers
- CAS
110577-54-3- PubChem CID
- 184243
- DTXSID
DTXSID10911759
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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