n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide
Basic information
- CAS
35101-80-5- Standard SMILES
O=C(NCCCl)n1cncn1- InChIKey
DGQZJWWCQNUSQP-UHFFFAOYSA-N- Molecular formula
- C5H7ClN4O
- Average molar mass
- 174.59 g/mol
- Monoisotopic mass
- 174.0308386
Names & identifiers
- Preferred name
- n-(2-Chloroethyl)-1h-1,2,4-triazole-1-carboxamide
- IUPAC
- N-(2-chloroethyl)-1,2,4-triazole-1-carboxamide
Names & synonyms
35101-80-5n-(2-chloroethyl)-1h-1,2,4-triazole-1-carboxamideNSC144739DTXSID40301604NSC-144739
Database identifiers
- CAS
35101-80-5- PubChem CID
- 286487
- DTXSID
DTXSID40301604
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
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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