N-(2-phenoxyethyl)-2-(1H-1,2,4-triazol-1-yl)propanamide
Basic information
- CAS
1209816-33-0- Standard SMILES
CC(C(=O)NCCOc1ccccc1)n1cncn1- InChIKey
SJCWUGMOFFIGFG-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732577
Names & identifiers
- Preferred name
- N-(2-phenoxyethyl)-2-(1H-1,2,4-triazol-1-yl)propanamide
- IUPAC
- N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
Names & synonyms
CHEMBL3490634DTXSID801198210AKOS0341618741209816-33-0Z315973652N-(2-phenoxyethyl)-2-(1H-1,2,4-triazol-1-yl)propanamideI+/--Methyl-N-(2-phenoxyethyl)-1H-1,2,4-triazole-1-acetamide
Database identifiers
- CAS
1209816-33-0- PubChem CID
- 45807932
- DTXSID
DTXSID801198210- ChEMBL
CHEMBL3490634
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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