1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methylphenyl)ethan-1-one
1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S625-2054 |
| Compound Name: | 1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C19 H25 N5 O2 |
| Smiles: | Cc1ccc(CC(N2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2C)O)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.343 |
| logD: | 0.2966 |
| logSw: | -1.4631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.394 |
| InChI Key: | UQRPCCCNSFLISR-HOTGVXAUSA-N |