≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)C1=CC(=NC(=N1)N2CCN3C(=NN=C3C4=CC=C(C=C4)OC(F)(F)F)C2)C(C)(C)C |
|---|---|
| IUPAC Name | 7-(4,6-ditert-butylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine |
| InChIKey | KELNXHBJTXCXSN-UHFFFAOYSA-N |
| INCHI | 1S/C24H29F3N6O/c1-22(2,3)17-13-18(23(4,5)6)29-21(28-17)32-11-12-33-19(14-32)30-31-20(33)15-7-9-16(10-8-15)34-24(25,26)27/h7-10,13H,11-12,14H2,1-6H3 |
| Isomeric SMILES | CC(C)(C)C1=CC(=NC(=N1)N2CCN3C(=NN=C3C4=CC=C(C=C4)OC(F)(F)F)C2)C(C)(C)C |
| Molecular Weight | 474.52 |
| Reaxy-Rn | 28592460 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28592460&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Triazolopyrazines Phenoxy compounds Phenol ethers Dialkylarylamines Aminopyrimidines and derivatives Pyrazines Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Triazolopyrazine - Phenoxy compound - Phenol ether - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | Solvent:ethanol, Max Conc. mg/mL: 47.45, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 9.49, Max Conc. mM: 20 |
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