1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-
TL;DR: 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- (CAS 21087-60-5) is a chemical compound with molecular formula C7H12N4OS and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methylsulfanyl-6-propyl-1,2,4-triazin-5-one
Also Known As: 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-, KST-1B1740, DIC 1542, 4-amino-3-methylsulfanyl-6-propyl-1,2,4-triazin-5-one, 3-SME-4-NH2-6-PR-124-TRIAZIN-5-ONE
| Molecular Formula | C7H12N4OS |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.07318 |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 21087-60-5 |
|---|---|
| SMILES | CCCC1=NN=C(N(C1=O)N)SC |
| InChIKey | CRXJGDFHBGGVNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- (CAS 21087-60-5), with molecular formula C7H12N4OS and molecular weight 200.07 g/mol. IUPAC: 4-amino-3-methylsulfanyl-6-propyl-1,2,4-triazin-5-one.
Chemical Property Profile of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-
Property Insights of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-. 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-3-(methylthio)-6-propyl-. Following Lipinski's Rule of Five, 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- 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-3-(methylthio)-6-propyl-?
The CAS number of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- is 21087-60-5.
What is the molecular formula of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-?
The molecular formula of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- is C7H12N4OS.
What is the molecular weight of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-?
The molecular weight of 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- is 200.07 g/mol.
Where can I buy 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl-?
You can request a quote for 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- 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-3-(methylthio)-6-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazin-5(4H)-one, 4-amino-3-(methylthio)-6-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.