5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 1001756-39-3) is a chemical compound with molecular formula C10H14N6O2S and molecular weight 282.0899 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-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-[2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol, 3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C10H14N6O2S |
| Molecular Weight | 282.0899 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0899 Da |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
| SMILES | CC1=C(C(=NN1CCC2=NNC(=S)N2C)C)[N+](=O)[O-] |
| InChIKey | OPVWLDHFIXNUPV-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 1001756-39-3.
What is the molecular formula of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C10H14N6O2S.
What is the molecular weight of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 282.0899 g/mol.
Where can I buy 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.