![7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one structure](/static/products/1360/13601-89-3.webp)
7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
TL;DR: 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one (CAS 13601-89-3) is a chemical compound with molecular formula C7H8N4OS and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-methylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
Also Known As: 7-methyl-3-methylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one, 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, 1,2,4-triazolo[4,3-a]pyrimidin-5(8H)-one, 7-methyl-3-(methylthio)-, 7-methyl-3-(methylthio)[1,2,4]triazolo[4,3-a]pyrimidin-5(8H)-one, InChI=1/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-10-7(11)13-2/h3H,1-2H3,(H,8,9
| Molecular Formula | C7H8N4OS |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.04189 |
| Heavy Atoms | 13 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 13601-89-3 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)NN=C2SC |
| InChIKey | NFNKCNRGRDFQDN-UHFFFAOYSA-N |
Product Overview
7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one (CAS 13601-89-3), with molecular formula C7H8N4OS and molecular weight 196.04 g/mol. IUPAC: 7-methyl-3-methylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
Chemical Property Profile of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Property Insights of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one. Following Lipinski's Rule of Five, 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-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 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
The CAS number of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one is 13601-89-3.
What is the molecular formula of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
The molecular formula of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one is C7H8N4OS.
What is the molecular weight of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
The molecular weight of 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one is 196.04 g/mol.
Where can I buy 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
You can request a quote for 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-3-(methylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.