![3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine structure](/static/products/5776/577697-17-7.webp)
3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
TL;DR: 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine (CAS 577697-17-7) is a chemical compound with molecular formula C16H17N5S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
Also Known As: 3-[(2,5-dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine, 3-((2,5-dimethylbenzyl)thio)-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine
| Molecular Formula | C16H17N5S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.12045 |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 577697-17-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CC=CC=N3 |
| InChIKey | ZPGHVYWBJVZBQD-UHFFFAOYSA-N |
Product Overview
3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine (CAS 577697-17-7), with molecular formula C16H17N5S and molecular weight 311.12 g/mol. IUPAC: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-2-yl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
Property Insights of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine 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-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
The CAS number of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine is 577697-17-7.
What is the molecular formula of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
The molecular formula of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine is C16H17N5S.
What is the molecular weight of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
The molecular weight of 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine is 311.12 g/mol.
Where can I buy 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
You can request a quote for 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,5-Dimethylphenyl)methylthio]-5-(2-pyridyl)-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.