![4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005626-27-6.webp)
4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione (CAS 1005626-27-6) is a chemical compound with molecular formula C13H17N7S and molecular weight 303.12662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-5-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol, 4-(1,3-dimethylpyrazol-4-yl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-2H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C13H17N7S |
| Molecular Weight | 303.12662 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.12662 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | CC1=CC(=NN1CC2=NNC(=S)N2C3=CN(N=C3C)C)C |
| InChIKey | FUCNTJVLVRPYRJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is 1005626-27-6.
What is the molecular formula of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is C13H17N7S.
What is the molecular weight of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is 303.12662 g/mol.
Where can I buy 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-dimethylpyrazol-4-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.