TL;DR: 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione (CAS 1005563-31-4) is a chemical compound with molecular formula C11H15N5S and molecular weight 249.10481 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione, 4-cyclopropyl-5-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide, 4-cyclopropyl-5-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol, 4-cyclopropyl-5-[2-(3-methylpyrazol-1-yl)ethyl]-2H-1,2,4-triazole-3-thione, 4-CYCLOPROPYL-5-[2-(3-METHYL-1H-PYRAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C11H15N5S |
| Molecular Weight | 249.10481 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.10481 Da |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
| SMILES | CC1=NN(C=C1)CCC2=NNC(=S)N2C3CC3 |
| InChIKey | CBIVSWWMWPZDJA-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 1005563-31-4.
The molecular formula of 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is C11H15N5S.
The molecular weight of 4-cyclopropyl-3-[2-(3-methylpyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione is 249.10481 g/mol.
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