ethyl 7-oxo-2-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-oxo-2-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-oxo-2-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0033 |
| Compound Name: | ethyl 7-oxo-2-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C13 H11 N5 O3 |
| Smiles: | CCOC(C1=CNc2nc(c3cccnc3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4297 |
| logD: | -1.4077 |
| logSw: | -0.9936 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.76 |
| InChI Key: | BHCIMDMIOUWGOF-UHFFFAOYSA-N |