4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
TL;DR: 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one (CAS 21087-62-7) is a chemical compound with molecular formula C8H14N4OS and molecular weight 214.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-(2-methylpropyl)-3-methylsulfanyl-1,2,4-triazin-5-one
Also Known As: DIC 1383, 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one, 3-SME-4-NH2-6-IBU-124-TRIAZIN-5-ONE, 3-(Methylthio)-4-amino-6-isobutyl-1,2,4-triazine-5(4H)-one, 4-Amino-6-isobutyl-3-(methylthio)-1,2,4-triazin-5(4H)-one
| Molecular Formula | C8H14N4OS |
|---|---|
| Molecular Weight | 214.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.08884 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 21087-62-7 |
|---|---|
| SMILES | CC(C)CC1=NN=C(N(C1=O)N)SC |
| InChIKey | DNSJPFHZSLEJFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one (CAS 21087-62-7), with molecular formula C8H14N4OS and molecular weight 214.09 g/mol. IUPAC: 4-amino-6-(2-methylpropyl)-3-methylsulfanyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
Property Insights of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one 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 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
The CAS number of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one is 21087-62-7.
What is the molecular formula of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
The molecular formula of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one is C8H14N4OS.
What is the molecular weight of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
The molecular weight of 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one is 214.09 g/mol.
Where can I buy 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
You can request a quote for 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-(2-methylpropyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.