![1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one structure](/static/products/851/851879-25-9.png)
1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one
TL;DR: 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one (CAS 851879-25-9) is a chemical compound with molecular formula C12H13N5OS and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
Also Known As: 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one, 1-[(5-mercapto-4-pyridin-2-yl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one, 1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one, 1-[[4,5-Dihydro-4-(2-pyridinyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone, 1-{4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-ylmethyl}pyrrolidin-2-one
| Molecular Formula | C12H13N5OS |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 1.44729 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.08408 |
| Heavy Atoms | 19 |
| Complexity | 647.6394 |
Chemical Identifiers
| CAS Number | 851879-25-9 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=NNC(=S)N2C3=CC=CC=N3 |
Product Overview
1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one (CAS 851879-25-9), with molecular formula C12H13N5OS and molecular weight 275.08 g/mol. IUPAC: 1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one.
Chemical Property Profile of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one
Property Insights of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one
The XLogP value of 1.44729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one. Following Lipinski's Rule of Five, 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one has 1 hydrogen bond donor(s) and 4 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 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one?
The CAS number of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one is 851879-25-9.
What is the molecular formula of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one?
The molecular formula of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one is C12H13N5OS.
What is the molecular weight of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one?
The molecular weight of 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one is 275.08 g/mol.
Where can I buy 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one?
You can request a quote for 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.