2-chloro-N-(1,2,4-triazol-4-yl)acetamide
Basic information
- CAS
137141-14-1- Standard SMILES
O=C(CCl)Nn1cnnc1- InChIKey
JYEVUSOWMMQOTG-UHFFFAOYSA-N- Molecular formula
- C4H5ClN4O
- Average molar mass
- 160.56 g/mol
- Monoisotopic mass
- 160.0151885
Names & identifiers
- Preferred name
- 2-chloro-N-(1,2,4-triazol-4-yl)acetamide
- IUPAC
- 2-chloro-N-(1,2,4-triazol-4-yl)acetamide
- English name
- 2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+% C4H5ClN4O, MW: 160.56
- Molecular formula
- C4H5ClN4O
- Molecular weight
- 160.56
Names & synonyms
137141-14-12-Chloro-N-(4H-1,2,4-triazol-4-yl)acetamide2-chloro-N-(1,2,4-triazol-4-yl)acetamide2-Chloro-N-[1,2,4]triazol-4-yl-acetamide2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+per cent C4H5ClN4O, MW: 160.56CHEMBL2338293DTXSID50403502SBB074422AKOS003865624SB86398DB-303306ST51021564
Show more names
2-Chloro-N-4H-1,2,4-triazol-4-ylacetamideAcetamide, 2-chloro-N-4H-1,2,4-triazol-4-yl-2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+% C4H5ClN4O, MW: 160.56
Database identifiers
- CAS
137141-14-1- PubChem CID
- 4459966
- DTXSID
DTXSID50403502- ChEMBL
CHEMBL2338293
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Density
- 1.6 · 1.60
- pka
- 5.9 · 5.90±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
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