2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide
TL;DR: 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide (CAS 869068-51-9) is a chemical compound with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide
Also Known As: 2-[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide, AB00548646-02, 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide, F1847-0181, 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide
| Molecular Formula | C12H13N5O2S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | -0.2394 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.079 |
| Heavy Atoms | 20 |
| Complexity | 643.79596 |
Chemical Identifiers
| CAS Number | 869068-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN=CC(=O)N2N |
Product Overview
2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide (CAS 869068-51-9), with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol. IUPAC: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-benzylacetamide.
Chemical Property Profile of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide
Property Insights of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide
The XLogP value of -0.2394 indicates that 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide has 2 hydrogen bond donor(s) and 6 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 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide?
The CAS number of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide is 869068-51-9.
What is the molecular formula of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide?
The molecular formula of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide is C12H13N5O2S.
What is the molecular weight of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide?
The molecular weight of 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide is 291.08 g/mol.
Where can I buy 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide?
You can request a quote for 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-benzylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.