4-(3,4-dimethylphenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one
4-(3,4-dimethylphenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | 4191-1036 |
| Compound Name: | 4-(3,4-dimethylphenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 203.24 |
| Molecular Formula: | C11 H13 N3 O |
| Smiles: | Cc1ccc(cc1C)N1CC(NN=C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7115 |
| logD: | -0.3642 |
| logSw: | -2.3843 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.37 |
| InChI Key: | QQBICKFDICGEEM-UHFFFAOYSA-N |