ethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C301-1992 |
| Compound Name: | ethyl 2,5-dimethyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C16 H17 N5 O4 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nc(C)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4763 |
| logD: | 1.3886 |
| logSw: | -2.913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.797 |
| InChI Key: | JKKXNSAGGMXMSD-AWEZNQCLSA-N |