{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone
{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S625-0017 |
| Compound Name: | {3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C16 H21 N5 O2 S |
| Smiles: | Cc1ccc(C(N2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2C)O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 0.3242 |
| logD: | 0.2779 |
| logSw: | -1.8452 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.94 |
| InChI Key: | GNTKDHRFNSDKFF-RYUDHWBXSA-N |