![6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/726/726200-94-8.png)
6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 726200-94-8) is a chemical compound with molecular formula C14H11F3N4O and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: AB01298848-01, 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, A3899/0165841, 6-benzyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C14H11F3N4O |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 2.33562 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0885 |
| Heavy Atoms | 22 |
| Complexity | 880.72473 |
Chemical Identifiers
| CAS Number | 726200-94-8 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)C(F)(F)F)CC3=CC=CC=C3 |
Product Overview
6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 726200-94-8), with molecular formula C14H11F3N4O and molecular weight 308.09 g/mol. IUPAC: 6-benzyl-5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 2.33562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 3 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 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 726200-94-8.
What is the molecular formula of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C14H11F3N4O.
What is the molecular weight of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 308.09 g/mol.
Where can I buy 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.