2-ethyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one
2-ethyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one
Compound characteristics
| Compound ID: | S625-1633 |
| Compound Name: | 2-ethyl-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one |
| Molecular Weight: | 321.42 |
| Molecular Formula: | C16 H27 N5 O2 |
| Smiles: | CCC(CC)C(N1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1C)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1166 |
| logD: | 0.0702 |
| logSw: | -0.0684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.193 |
| InChI Key: | MAIBIZFEUICXBJ-STQMWFEESA-N |