Basic information
- CAS
1261225-50-6- Standard SMILES
Cc1nncn1C1CCCC(NC(=O)OCc2ccccc2)C1- InChIKey
LIYDVRHFBSQJCJ-UHFFFAOYSA-N- Molecular formula
- C17H22N4O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.17427596
Names & identifiers
- Preferred name
- Benzyl [3-(3-methyl-4H-1,2,4-triazol-4-yl)cyclohexyl]carbamate
- IUPAC
- benzyl N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]carbamate
- English name
- benzyl (1S,3R)-3-(3-methyl-4H-1,2,4-triazol-4-yl)cyclohexylcarbamate
- Molecular formula
- C17H22N4O2
- Molecular weight
- 314.38218
Names & synonyms
DTXSID70700121Benzyl [3-(3-methyl-4H-1,2,4-triazol-4-yl)cyclohexyl]carbamate1261225-50-6benzyl (1S,3R)-3-(3-methyl-4H-1,2,4-triazol-4-yl)cyclohexylcarbamate
Database identifiers
- CAS
1261225-50-6- PubChem CID
- 53429331
- DTXSID
DTXSID70700121
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…