2,5-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]benzaldehyde
Chemical Structure Depiction of
2,5-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]benzaldehyde
2,5-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]benzaldehyde
Compound characteristics
| Compound ID: | 8020-4808 |
| Compound Name: | 2,5-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]benzaldehyde |
| Molecular Weight: | 215.25 |
| Molecular Formula: | C12 H13 N3 O |
| Smiles: | Cc1cc(Cn2cncn2)c(C)c(C=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.5157 |
| logD: | 1.5157 |
| logSw: | -1.1561 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.374 |
| InChI Key: | UPWPCFPKXFPMBZ-UHFFFAOYSA-N |