methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3338-2608 |
| Compound Name: | methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 315.29 |
| Molecular Formula: | C14 H13 N5 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)ncn2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8616 |
| logD: | 1.5733 |
| logSw: | -2.4457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.545 |
| InChI Key: | CIBVLNVBSOKSSA-LBPRGKRZSA-N |