5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 893777-40-7) is a chemical compound with molecular formula C11H8N6S and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrazin-2-yl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, A4129/0176056, 3-pyrazin-2-yl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 5-pyrazin-2-yl-4-(3-pyridyl)-1,2,4-triazole-3-thiol, Hydrosulfide, [5-(2-pyrazinyl)-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]-
| Molecular Formula | C11H8N6S |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 1.78189 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0531 |
| Heavy Atoms | 18 |
| Complexity | 703.1582 |
Chemical Identifiers
| CAS Number | 893777-40-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)N2C(=NNC2=S)C3=NC=CN=C3 |
Product Overview
5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 893777-40-7), with molecular formula C11H8N6S and molecular weight 256.05 g/mol. IUPAC: 3-pyrazin-2-yl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.78189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-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
Frequently Asked Questions
What is the CAS number of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 893777-40-7.
What is the molecular formula of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is C11H8N6S.
What is the molecular weight of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 256.05 g/mol.
Where can I buy 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(pyrazin-2-yl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.