1-(4-tert-butylphenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine
1-(4-tert-butylphenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | K072-0011 |
| Compound Name: | 1-(4-tert-butylphenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 228.29 |
| Molecular Formula: | C13 H16 N4 |
| Smiles: | CC(C)(C)c1ccc(/C=N/n2cnnc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4154 |
| logD: | 2.4066 |
| logSw: | -2.2493 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.206 |
| InChI Key: | KQHYPLWEHYCWSZ-UHFFFAOYSA-N |