N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine
Compound characteristics
| Compound ID: | 8017-7340 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine |
| Molecular Weight: | 329.27 |
| Molecular Formula: | C13 H11 N7 O4 |
| Smiles: | C1COc2cc(ccc2O1)Nc1nnc(c2c(cn[nH]2)[N+]([O-])=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.2329 |
| logD: | -1.5733 |
| logSw: | -2.057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.435 |
| InChI Key: | BGPRUAJNCFJAPP-UHFFFAOYSA-N |