![3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline structure](/static/products/860/860787-47-9.png)
3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline
TL;DR: 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline (CAS 860787-47-9) is a chemical compound with molecular formula C14H11F3N6 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]aniline
Also Known As: 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline, 3-{1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,3-triazol-4-yl}aniline, 3-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]aniline, 3-{1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3-triazol-4-yl}aniline
| Molecular Formula | C14H11F3N6 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 2.63372 |
| Topological Polar Surface Area | 82.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.09973 |
| Heavy Atoms | 23 |
| Complexity | 855.7141 |
Chemical Identifiers
| CAS Number | 860787-47-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C=C(N=N2)C3=CC(=CC=C3)N)C(F)(F)F |
Product Overview
3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline (CAS 860787-47-9), with molecular formula C14H11F3N6 and molecular weight 320.10 g/mol. IUPAC: 3-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]aniline.
Chemical Property Profile of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline
Property Insights of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline
The XLogP value of 2.63372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline. The TPSA of 82.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline. Following Lipinski's Rule of Five, 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline 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 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline?
The CAS number of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline is 860787-47-9.
What is the molecular formula of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline?
The molecular formula of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline is C14H11F3N6.
What is the molecular weight of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline?
The molecular weight of 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline is 320.10 g/mol.
Where can I buy 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline?
You can request a quote for 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.