1-(4-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl}piperidin-1-yl)ethan-1-one
1-(4-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S625-1647 |
| Compound Name: | 1-(4-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C18 H28 N6 O3 |
| Smiles: | CC(N1CCC(CC1)C(N1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1C)O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.6676 |
| logD: | -1.714 |
| logSw: | -0.1871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.309 |
| InChI Key: | WQFVXVCORWGDDF-GJZGRUSLSA-N |