7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | G856-5842 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C17 H19 N7 O2 |
| Smiles: | Cn1c2c(c(ncn2)N2CCN(CC2)Cc2ccc3c(c2)OCO3)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.3667 |
| logD: | 0.9174 |
| logSw: | -1.9085 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.703 |
| InChI Key: | JTJQTWBOOOQIAP-UHFFFAOYSA-N |