![3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile structure](/static/products/3387/338758-92-2.webp)
3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
TL;DR: 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338758-92-2) is a chemical compound with molecular formula C12H9F3N6O and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(N-hydroxy-C-methylcarbonimidoyl)-5-methyltriazol-1-yl]-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile, 3-[4-(N-hydroxy-C-methylcarbonimidoyl)-5-methyltriazol-1-yl]-5-(trifluoromethyl)pyridine-2-carbonitrile
| Molecular Formula | C12H9F3N6O |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 2.0594 |
| Topological Polar Surface Area | 99.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.07898 |
| Heavy Atoms | 22 |
| Complexity | 787.1349 |
Chemical Identifiers
| CAS Number | 338758-92-2 |
|---|---|
| SMILES | CC1=C(N=NN1C2=C(N=CC(=C2)C(F)(F)F)C#N)C(=NO)C |
Product Overview
3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338758-92-2), with molecular formula C12H9F3N6O and molecular weight 310.08 g/mol. IUPAC: 3-[4-(N-hydroxy-C-methylcarbonimidoyl)-5-methyltriazol-1-yl]-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
Property Insights of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
The XLogP value of 2.0594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile. The TPSA of 99.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile. Following Lipinski's Rule of Five, 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile has 1 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 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The CAS number of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is 338758-92-2.
What is the molecular formula of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular formula of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is C12H9F3N6O.
What is the molecular weight of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular weight of 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is 310.08 g/mol.
Where can I buy 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
You can request a quote for 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(hydroxyethanimidoyl)-5-methyl-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)-2-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.