N-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-N'-methylthiourea
Chemical Structure Depiction of
N-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-N'-methylthiourea
N-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-N'-methylthiourea
Compound characteristics
| Compound ID: | 0342-0284 |
| Compound Name: | N-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-N'-methylthiourea |
| Molecular Weight: | 228.32 |
| Molecular Formula: | C8 H16 N6 S |
| Smiles: | CNC(NCCCCc1nc(N)[nH]n1)=S |
| Stereo: | ACHIRAL |
| logP: | -0.6402 |
| logD: | -0.6815 |
| logSw: | -0.5313 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 77.482 |
| InChI Key: | HTENHZQEARPEQK-UHFFFAOYSA-N |