N-(3-methoxyphenyl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine
Chemical Structure Depiction of
N-(3-methoxyphenyl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine
N-(3-methoxyphenyl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine
Compound characteristics
| Compound ID: | 8017-7339 |
| Compound Name: | N-(3-methoxyphenyl)-5-(4-nitro-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-amine |
| Molecular Weight: | 301.26 |
| Molecular Formula: | C12 H11 N7 O3 |
| Smiles: | COc1cccc(c1)Nc1nnc(c2c(cn[nH]2)[N+]([O-])=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.3267 |
| logD: | -0.4794 |
| logSw: | -2.079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.156 |
| InChI Key: | LTAVUEJZIJUPRS-UHFFFAOYSA-N |