Basic information
- CAS
482312-19-6- Standard SMILES
CC(NC(=O)CSc1n[nH]c(N)n1)c1ccccc1- InChIKey
NSCQKNIZPKNZMG-UHFFFAOYSA-N- Molecular formula
- C12H15N5OS
- Average molar mass
- 277.35 g/mol
- Monoisotopic mass
- 277.09973129
Names & identifiers
- Preferred name
- 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
- IUPAC
- 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
Names & synonyms
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamideOprea1_177685MLS001171018CHEMBL1598205DTXSID301329121HMS1765E01HMS2893F08AKOS008904330482312-19-6SMR000590066SR-01000032164SR-01000032164-1
Show more names
Z18357087
Database identifiers
- CAS
482312-19-6- PubChem CID
- 4688103
- DTXSID
DTXSID301329121- ChEMBL
CHEMBL1598205
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
Solubility35.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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