N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-(prop-2-en-1-yl)thiourea
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-(prop-2-en-1-yl)thiourea
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-(prop-2-en-1-yl)thiourea
Compound characteristics
| Compound ID: | 5069-0232 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-(prop-2-en-1-yl)thiourea |
| Molecular Weight: | 291.38 |
| Molecular Formula: | C12 H17 N7 S |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2NC(NCC=C)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.2163 |
| logD: | 0.2143 |
| logSw: | -1.6761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.636 |
| InChI Key: | ZJKJJPCQQDWFNN-UHFFFAOYSA-N |