≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CN2C(=NN=C2C(F)(F)F)C(N1)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 8-phenyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine |
| InChIKey | YXHPKGBOXWOOAM-UHFFFAOYSA-N |
| INCHI | 1S/C12H11F3N4/c13-12(14,15)11-18-17-10-9(16-6-7-19(10)11)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2 |
| Isomeric SMILES | C1CN2C(=NN=C2C(F)(F)F)C(N1)C3=CC=CC=C3 |
| Alternate CAS | 794479-16-6 |
| PubChem CID | 70700848 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrazines |
| Alternative Parents | Aralkylamines Pyrazines Benzene and substituted derivatives Triazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrazine - Aralkylamine - Monocyclic benzene moiety - Pyrazine - Benzenoid - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyrazines. These are compounds containing a triazole ring fused to a pyrazine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4. |
| External Descriptors | Not available |
| Molecular Weight | 268.240 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 268.094 Da |
| Monoisotopic Mass | 268.094 Da |
| Topological Polar Surface Area | 42.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 317.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![8-Phenyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine - ≥95% , CAS No.794479-16-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)