Basic information
- CAS
35101-81-6- Standard SMILES
Nc1ncnn1C(=O)NCCCl- InChIKey
ZLLSIVVWOYDFMQ-UHFFFAOYSA-N- Molecular formula
- C5H8ClN5O
- Average molar mass
- 189.6 g/mol
- Monoisotopic mass
- 189.0417376
Names & identifiers
- Preferred name
- 5-Amino-n-(2-chloroethyl)-1h-1,2,4-triazole-1-carboxamide
- IUPAC
- 5-amino-N-(2-chloroethyl)-1,2,4-triazole-1-carboxamide
Names & synonyms
35101-81-65-amino-n-(2-chloroethyl)-1h-1,2,4-triazole-1-carboxamideNSC1444115-amino-N-(2-chloroethyl)-1,2,4-triazole-1-carboxamideDTXSID10301570NSC-144411DS-008920
Database identifiers
- CAS
35101-81-6- PubChem CID
- 286340
- DTXSID
DTXSID10301570
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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