methyl 2-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
methyl 2-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate
Compound characteristics
| Compound ID: | G857-2225 |
| Compound Name: | methyl 2-[(3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino]benzoate |
| Molecular Weight: | 284.27 |
| Molecular Formula: | C13 H12 N6 O2 |
| Smiles: | Cn1c2c(c(Nc3ccccc3C(=O)OC)ncn2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.4216 |
| logD: | 1.4216 |
| logSw: | -2.0717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.689 |
| InChI Key: | NGIJUYBEDUOFHE-UHFFFAOYSA-N |