4-cyclopentyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0001 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 286.8 |
| Molecular Formula: | C13 H22 N4 O |
| Salt: | HCl |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCNCC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1994 |
| logD: | -4.4476 |
| logSw: | -0.4768 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.837 |
| InChI Key: | MXRJXOWXXINVQJ-UHFFFAOYSA-N |