![3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile structure](/static/products/3389/338968-23-3.webp)
3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
TL;DR: 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338968-23-3) is a chemical compound with molecular formula C9H5F3N6S and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile, 6L-708, 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile, 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile, 3-[(5-amino-2H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
| Molecular Formula | C9H5F3N6S |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 1.82358 |
| Topological Polar Surface Area | 104.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.02484 |
| Heavy Atoms | 19 |
| Complexity | 644.135 |
Chemical Identifiers
| CAS Number | 338968-23-3 |
|---|---|
| SMILES | C1=C(C=NC(=C1SC2=NNC(=N2)N)C#N)C(F)(F)F |
Product Overview
3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338968-23-3), with molecular formula C9H5F3N6S and molecular weight 286.02 g/mol. IUPAC: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
Property Insights of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
The XLogP value of 1.82358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile. The TPSA of 104.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile. Following Lipinski's Rule of Five, 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile has 2 hydrogen bond donor(s) and 6 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-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The CAS number of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is 338968-23-3.
What is the molecular formula of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular formula of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is C9H5F3N6S.
What is the molecular weight of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular weight of 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is 286.02 g/mol.
Where can I buy 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
You can request a quote for 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.