![4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol structure](/static/products/488/488122-94-7.png)
4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol
TL;DR: 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol (CAS 488122-94-7) is a chemical compound with molecular formula C13H12N6S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol, 4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, (E)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H12N6S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.22339 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0844 |
| Heavy Atoms | 20 |
| Complexity | 795.6382 |
Chemical Identifiers
| CAS Number | 488122-94-7 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol (CAS 488122-94-7), with molecular formula C13H12N6S and molecular weight 284.08 g/mol. IUPAC: 4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol
Property Insights of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol
The XLogP value of 2.22339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol. Following Lipinski's Rule of Five, 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol 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 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol?
The CAS number of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol is 488122-94-7.
What is the molecular formula of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol?
The molecular formula of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol is C13H12N6S.
What is the molecular weight of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol?
The molecular weight of 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol is 284.08 g/mol.
Where can I buy 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol?
You can request a quote for 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thi ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.