![4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005704-93-7.webp)
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione (CAS 1005704-93-7) is a chemical compound with molecular formula C13H16N8O2S and molecular weight 348.1117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-5-[(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C13H16N8O2S |
| Molecular Weight | 348.1117 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.1117 Da |
| Heavy Atoms | 24 |
| Complexity | 553.0 |
| SMILES | CCN1C(=C(C=N1)N2C(=NNC2=S)CN3C(=CC(=N3)[N+](=O)[O-])C)C |
| InChIKey | DDELEPRUNCSMMB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-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-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 6 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-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is 1005704-93-7.
What is the molecular formula of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is C13H16N8O2S.
What is the molecular weight of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is 348.1117 g/mol.
Where can I buy 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-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-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.