N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-phenylthiourea
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-phenylthiourea
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-phenylthiourea
Compound characteristics
| Compound ID: | 5069-0231 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-N'-phenylthiourea |
| Molecular Weight: | 327.41 |
| Molecular Formula: | C15 H17 N7 S |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2NC(Nc2ccccc2)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4918 |
| logD: | 1.4898 |
| logSw: | -1.6817 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.201 |
| InChI Key: | ZOQIJANFKXOZAK-UHFFFAOYSA-N |