4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one
TL;DR: 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one (CAS 59742-87-9) is a chemical compound with molecular formula C7H14N4OS and molecular weight 202.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-tert-butyl-3-sulfanyl-2,3-dihydro-1,2,4-triazin-5-one
Also Known As: 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one, 4-amino-6-tert-butyl-3-sulfanyl-3,4-dihydro-1,2,4-triazin-5(2h)-one, 4-amino-6-tert-butyl-3-sulfanyl-2,3-dihydro-1,2,4-triazin-5-one, 4-amino-6-tert-butyl-3-sulfanyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one, 1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-mercapto-
| Molecular Formula | C7H14N4OS |
|---|---|
| Molecular Weight | 202.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.08884 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 59742-87-9 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(N(C1=O)N)S |
| InChIKey | UEEQZFBEGRGQGN-UHFFFAOYSA-N |
Product Overview
4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one (CAS 59742-87-9), with molecular formula C7H14N4OS and molecular weight 202.09 g/mol. IUPAC: 4-amino-6-tert-butyl-3-sulfanyl-2,3-dihydro-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one
Property Insights of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one. Following Lipinski's Rule of Five, 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one has 3 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-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one?
The CAS number of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one is 59742-87-9.
What is the molecular formula of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one?
The molecular formula of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one is C7H14N4OS.
What is the molecular weight of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one?
The molecular weight of 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one is 202.09 g/mol.
Where can I buy 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one?
You can request a quote for 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-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-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.