1-Pivaloyl-1,2,4-triazole
Basic information
- CAS
60718-52-7- Standard SMILES
CC(C)(C)C(=O)n1cncn1- InChIKey
UJTIGDOKKYGPSB-UHFFFAOYSA-N- Molecular formula
- C7H11N3O
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.09021198
Names & identifiers
- Preferred name
- 1-Pivaloyl-1,2,4-triazole
- IUPAC
- 2,2-dimethyl-1-(1,2,4-triazol-1-yl)propan-1-one
- English name
- 1-Pivaloyl-1H-1,2,4-triazole
- Molecular formula
- C7H11N3O
- Molecular weight
- 153.18
Names & synonyms
1-Pivaloyl-1,2,4-triazole60718-52-7DTXSID60209537RefChem:234473DTXCID101320281-Pivaloyl-1H-1,2,4-triazole2,2-dimethyl-1-(1H-1,2,4-triazol-1-yl)propan-1-oneSCHEMBL13114303DB-3123401-(2,2-Dimethylpropionyl)-1H-1,2,4-triazole1-Propanone, 2,2-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
Database identifiers
- CAS
60718-52-7- PubChem CID
- 43408
- DTXSID
DTXSID60209537- Nikkaji
- J391.276K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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