N,N-dimethyl-2-nitro-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}aniline
Chemical Structure Depiction of
N,N-dimethyl-2-nitro-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}aniline
N,N-dimethyl-2-nitro-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}aniline
Compound characteristics
| Compound ID: | 8005-2549 |
| Compound Name: | N,N-dimethyl-2-nitro-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}aniline |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C11 H12 N6 O2 |
| Smiles: | CN(C)c1ccc(/C=N/n2cnnc2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7618 |
| logD: | 0.7616 |
| logSw: | -1.7126 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.79 |
| InChI Key: | XXGKIAWLEUYHAV-UHFFFAOYSA-N |