methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3702 |
| Compound Name: | methyl 5-(methoxymethyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 345.31 |
| Molecular Formula: | C15 H15 N5 O5 |
| Smiles: | COCC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)ncn2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6825 |
| logD: | 1.2883 |
| logSw: | -2.2695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.576 |
| InChI Key: | JMLSIIAHPHXRLO-ZDUSSCGKSA-N |