AC1LHU0Y
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: BAS 05948789|2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone|2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone|2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone|2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone|2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone|2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C16H21N5OS |
|---|---|
| Molecular Weight | 331.14667 g/mol |
| LogP | 2.2617 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.14667 |
| Monoisotopic Mass | 331.14667 |
| Heavy Atoms | 23 |
| Complexity | 676.2791 |
Chemical Identifiers
| CAS Number | 693255-08-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)N |
Product Overview
AC1LHU0Y (CAS 693255-08-2), with molecular formula C16H21N5OS and molecular weight 331.14667 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.