7-methyl-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-methyl-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-methyl-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5807 |
| Compound Name: | 7-methyl-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 313.28 |
| Molecular Formula: | C12 H11 N9 O2 |
| Smiles: | Cn1c2c(cn1)c1nc(CCn3ccc(n3)[N+]([O-])=O)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | -0.2802 |
| logD: | -0.3112 |
| logSw: | -1.2786 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 93.337 |
| InChI Key: | JXJFJFIIAFQQOF-UHFFFAOYSA-N |