5-[(2,4-dichlorophenyl)methyl]-3-methyl-7-(pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
5-[(2,4-dichlorophenyl)methyl]-3-methyl-7-(pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
5-[(2,4-dichlorophenyl)methyl]-3-methyl-7-(pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | D112-0095 |
| Compound Name: | 5-[(2,4-dichlorophenyl)methyl]-3-methyl-7-(pyrrolidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 363.25 |
| Molecular Formula: | C16 H16 Cl2 N6 |
| Smiles: | Cn1c2c(c(nc(Cc3ccc(cc3[Cl])[Cl])n2)N2CCCC2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1713 |
| logD: | 4.1709 |
| logSw: | -4.3404 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.893 |
| InChI Key: | HFICJYCBZVXDHQ-UHFFFAOYSA-N |