7-methyl-2-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-methyl-2-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-methyl-2-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4201 |
| Compound Name: | 7-methyl-2-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 375.35 |
| Molecular Formula: | C17 H13 N9 O2 |
| Smiles: | Cn1c2c(cn1)c1nc(c3ccc(Cn4ccc(n4)[N+]([O-])=O)cc3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 1.2107 |
| logD: | 1.165 |
| logSw: | -1.9238 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.097 |
| InChI Key: | ROBPGYLCMKCVOE-UHFFFAOYSA-N |