2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4594 |
| Compound Name: | 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 341.33 |
| Molecular Formula: | C14 H15 N9 O2 |
| Smiles: | Cc1c(c(C)n(CCc2nc3c4cnn(C)c4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.162 |
| logD: | 0.011 |
| logSw: | -0.8425 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 93.165 |
| InChI Key: | GGKDWTZUHBVTBP-UHFFFAOYSA-N |