![3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005638-47-0.webp)
3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione (CAS 1005638-47-0) is a chemical compound with molecular formula C16H25N7O3S and molecular weight 395.17395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione, 5-[2-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)ETHYL]-4-(3-MORPHOLINOPROPYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C16H25N7O3S |
| Molecular Weight | 395.17395 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.17395 Da |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
| SMILES | CC1=C(C(=NN1CCC2=NNC(=S)N2CCCN3CCOCC3)C)[N+](=O)[O-] |
| InChIKey | LEOVGYVIBSCAEX-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione is 1005638-47-0.
What is the molecular formula of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione is C16H25N7O3S.
What is the molecular weight of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione is 395.17395 g/mol.
Where can I buy 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-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 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ylpropyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.