3-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}cyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}cyclohex-2-en-1-one
3-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | Y021-0726 |
| Compound Name: | 3-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]amino}cyclohex-2-en-1-one |
| Molecular Weight: | 224.28 |
| Molecular Formula: | C9 H12 N4 O S |
| Smiles: | CSc1nc(NC2CCCC(C=2)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1391 |
| logD: | 0.7835 |
| logSw: | -2.0661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.178 |
| InChI Key: | ZZFJGCBICTWSCI-UHFFFAOYSA-N |