Basic information
- CAS
132408-61-8- Standard SMILES
CC(=O)n1cnc(C(C)(C)C)n1- InChIKey
KAZOBOKFWLCEGB-UHFFFAOYSA-N- Molecular formula
- C8H13N3O
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.10586205
Names & identifiers
- Preferred name
- 1-(3-(tert-Butyl)-1H-1,2,4-triazol-1-yl)ethanone
- IUPAC
- 1-(3-tert-butyl-1,2,4-triazol-1-yl)ethanone
- English name
- 1H-1,2,4-Triazole, 1-acetyl-3-(1,1-dimethylethyl)- (9CI)
- Molecular formula
- C8H13N3O
- Molecular weight
- 167.20832
Names & synonyms
132408-61-81-(3-(tert-Butyl)-1H-1,2,4-triazol-1-yl)ethanone1-(3-tert-Butyl-1H-1,2,4-triazol-1-yl)ethan-1-oneSCHEMBL10750443DTXSID006034341H-1,2,4-Triazole, 1-acetyl-3-(1,1-dimethylethyl)- (9CI)
Database identifiers
- CAS
132408-61-8- PubChem CID
- 20199296
- DTXSID
DTXSID00603434- Nikkaji
- J391.280I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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