1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-
TL;DR: 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- (CAS 18826-96-5) is a chemical compound with molecular formula C5H8N4OS and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: 4-amino-6-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one, ZERO/005126, 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-, 4-amino-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one, 4-amino-6-methyl-3-methylthio-1,2,4-triazin-5-one
| Molecular Formula | C5H8N4OS |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.04189 |
| Heavy Atoms | 11 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 18826-96-5 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SC |
| InChIKey | QGWGENIBCSVSNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- (CAS 18826-96-5), with molecular formula C5H8N4OS and molecular weight 172.04 g/mol. IUPAC: 4-amino-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-
Property Insights of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-
The XLogP value of -0.2 indicates that 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-. Following Lipinski's Rule of Five, 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- 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 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-?
The CAS number of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- is 18826-96-5.
What is the molecular formula of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-?
The molecular formula of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- is C5H8N4OS.
What is the molecular weight of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-?
The molecular weight of 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- is 172.04 g/mol.
Where can I buy 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-?
You can request a quote for 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazin-5(4H)-one, 4-amino-6-methyl-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.