3-methyl-1-{4-[7-(oxan-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[7-(oxan-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
3-methyl-1-{4-[7-(oxan-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S903-0161 |
| Compound Name: | 3-methyl-1-{4-[7-(oxan-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C20 H33 N5 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9144 |
| logD: | 0.7846 |
| logSw: | -0.8067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.259 |
| InChI Key: | ZIIXZIJSJDSOFF-UHFFFAOYSA-N |