3-{5-[(3,4-dimethylphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{5-[(3,4-dimethylphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{5-[(3,4-dimethylphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S586-0119 |
| Compound Name: | 3-{5-[(3,4-dimethylphenyl)methyl]-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | Cc1ccc(CN2CCn3c(C2)c(CCC(N2CCCC2)=O)nn3)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.1911 |
| logD: | 0.8412 |
| logSw: | -2.4514 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.202 |
| InChI Key: | LPGNDLHAXXQFMR-UHFFFAOYSA-N |