5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one
TL;DR: 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one (CAS 515116-45-7) is a chemical compound with molecular formula C17H16N4O and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzhydrylamino)-6-methyl-2H-1,2,4-triazin-3-one
Also Known As: 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one, 5-(benzhydrylamino)-6-methyl-2H-1,2,4-triazin-3-one, AS-871/43476025
| Molecular Formula | C17H16N4O |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.67482 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.13242 |
| Heavy Atoms | 22 |
| Complexity | 760.14777 |
Chemical Identifiers
| CAS Number | 515116-45-7 |
|---|---|
| SMILES | CC1=NNC(=O)N=C1NC(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one (CAS 515116-45-7), with molecular formula C17H16N4O and molecular weight 292.13 g/mol. IUPAC: 5-(benzhydrylamino)-6-methyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one
Property Insights of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one
The XLogP value of 2.67482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one. Following Lipinski's Rule of Five, 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one has 2 hydrogen bond donor(s) and 4 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 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one?
The CAS number of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one is 515116-45-7.
What is the molecular formula of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one?
The molecular formula of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one is C17H16N4O.
What is the molecular weight of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one?
The molecular weight of 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one is 292.13 g/mol.
Where can I buy 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one?
You can request a quote for 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzhydrylamino)-6-methyl-1,2,4-triazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.