![3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine structure](/static/products/5779/577986-19-7.webp)
3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
TL;DR: 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 577986-19-7) is a chemical compound with molecular formula C15H12F3N5S and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine, 3-(pyridin-3-yl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-4-amine, 3-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine, 5-(3-pyridyl)-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-triazole-4-ylami ne
| Molecular Formula | C15H12F3N5S |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 3.365 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07654 |
| Heavy Atoms | 24 |
| Complexity | 832.626 |
Chemical Identifiers
| CAS Number | 577986-19-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine (CAS 577986-19-7), with molecular formula C15H12F3N5S and molecular weight 351.08 g/mol. IUPAC: 3-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
Property Insights of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine
The XLogP value of 3.365 indicates that 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine 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
Frequently Asked Questions
What is the CAS number of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 577986-19-7.
What is the molecular formula of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is C15H12F3N5S.
What is the molecular weight of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine is 351.08 g/mol.
Where can I buy 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(pyridin-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.