(3S,5S)-1-[(3-methylphenyl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
Chemical Structure Depiction of
(3S,5S)-1-[(3-methylphenyl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
(3S,5S)-1-[(3-methylphenyl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S904-1699 |
| Compound Name: | (3S,5S)-1-[(3-methylphenyl)methyl]-5-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol |
| Molecular Weight: | 327.43 |
| Molecular Formula: | C18 H25 N5 O |
| Smiles: | Cc1cccc(CN2C[C@H](C[C@H]2c2nnc3CN(C)CCn23)O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 0.8653 |
| logD: | 0.8525 |
| logSw: | -0.9324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.955 |
| InChI Key: | CVDJUJUDYKHPHK-JKSUJKDBSA-N |