2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5045 |
| Compound Name: | 2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 329.27 |
| Molecular Formula: | C12 H11 N9 O3 |
| Smiles: | Cn1c2c(cn1)c1nc(Cn3cc(c(n3)OC)[N+]([O-])=O)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | -0.0216 |
| logD: | -0.0371 |
| logSw: | -0.883 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 101.789 |
| InChI Key: | BOYHSIOGABRLLY-UHFFFAOYSA-N |