methyl 7-hydroxy-5-methyl-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
methyl 7-hydroxy-5-methyl-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
methyl 7-hydroxy-5-methyl-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | 8013-0313 |
| Compound Name: | methyl 7-hydroxy-5-methyl-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 253.17 |
| Molecular Formula: | C8 H7 N5 O5 |
| Smiles: | Cc1c(c(n2c(n1)nc(C(=O)OC)n2)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1237 |
| logD: | -5.7942 |
| logSw: | -0.1142 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.761 |
| InChI Key: | VAEBOORLDQHDIO-UHFFFAOYSA-N |