{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1-methyl-1H-pyrrol-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}(1-methyl-1H-pyrrol-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}(1-methyl-1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | S625-0062 |
| 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}(1-methyl-1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C16 H22 N6 O2 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(c1cccn1C)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.39 |
| logD: | -0.4363 |
| logSw: | -1.2266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.339 |
| InChI Key: | VBWMLPXZRLNQJE-AAEUAGOBSA-N |