5-(thiophen-2-yl)-3-[(1H-1,2,4-triazol-5-yl)amino]cyclohex-2-en-1-one
Chemical Structure Depiction of
5-(thiophen-2-yl)-3-[(1H-1,2,4-triazol-5-yl)amino]cyclohex-2-en-1-one
5-(thiophen-2-yl)-3-[(1H-1,2,4-triazol-5-yl)amino]cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8018-6029 |
| Compound Name: | 5-(thiophen-2-yl)-3-[(1H-1,2,4-triazol-5-yl)amino]cyclohex-2-en-1-one |
| Molecular Weight: | 260.31 |
| Molecular Formula: | C12 H12 N4 O S |
| Smiles: | C1C(CC(C=C1Nc1ncn[nH]1)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.426 |
| logD: | 0.5169 |
| logSw: | -2.2817 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.85 |
| InChI Key: | RRCHYEZBSCPERM-MRVPVSSYSA-N |