2,5-dimethyl-4-{1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-{1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-{1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0173 |
| Compound Name: | 2,5-dimethyl-4-{1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 290.36 |
| Molecular Formula: | C15 H22 N4 O2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1ccc(C)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0315 |
| logD: | 0.6009 |
| logSw: | -2.0504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.157 |
| InChI Key: | GIHCXPKVWBMYSM-UHFFFAOYSA-N |