3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4H-1,2,4-triazole
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-6941 |
| Compound Name: | 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 208.18 |
| Molecular Formula: | C7 H8 N6 O2 |
| Smiles: | Cc1c(c(C)n(c2nnc[nH]2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.3469 |
| logD: | -0.7996 |
| logSw: | -1.1379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.066 |
| InChI Key: | QNVQXAGBNLVELI-UHFFFAOYSA-N |