Basic information
- Standard SMILES
O=C1CCC(n2cncn2)CC1- InChIKey
KHTGWQYWBVTUTI-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- 4-[1,2,4]Triazol-1-yl-cyclohexanone
- IUPAC
- 4-(1,2,4-triazol-1-yl)cyclohexan-1-one
Names & synonyms
SCHEMBL101688KHTGWQYWBVTUTI-UHFFFAOYSA-N4-[1,2,4]triazol-1-yl-cyclohexanone4-[1,2,4]-triazol-1-yl-cyclohexanone
Database identifiers
- PubChem CID
- 57424093
Properties
Computed structural properties
- XLogP
- 0.1
- 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
- 173
Related reactions
19 records
Compound notes
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