N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine--hydrogen chloride (1/1)
N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-2112 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 351.71 |
| Molecular Formula: | C12 H9 N7 O4 |
| Salt: | HCl |
| Smiles: | C1Oc2ccc(cc2O1)Nc1nc(c2c(cn[nH]2)[N+]([O-])=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.6937 |
| logD: | 1.639 |
| logSw: | -2.1366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.728 |
| InChI Key: | YOHDCRNZDFDTNT-UHFFFAOYSA-N |