for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC(=O)C1=C(N2C(=NC(=N2)C(F)(F)F)N=C1)C=CN(C)C |
|---|---|
| IUPAC Name | 1-[7-[(E)-2-(dimethylamino)ethenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone |
| InChIKey | RRAWMUDHSYHOEO-SNAWJCMRSA-N |
| INCHI | 1S/C12H12F3N5O/c1-7(21)8-6-16-11-17-10(12(13,14)15)18-20(11)9(8)4-5-19(2)3/h4-6H,1-3H3/b5-4+ |
| Isómeros SMILES | CC(=O)C1=C(N2C(=NC(=N2)C(F)(F)F)N=C1)/C=C/N(C)C |
| PubChem CID | 66485159 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Aryl alkyl ketones Pyrimidines and pyrimidine derivatives Vinylogous amides Triazoles Heteroaromatic compounds Trialkylamines Enamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Aryl alkyl ketone - Aryl ketone - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Azacycle - Amine - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 299.250 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 299.099 Da |
| Monoisotopic Mass | 299.099 Da |
| Topological Polar Surface Area | 63.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![1-[7-[(E)-2-(dimethylamino)vinyl]-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone - CAS No(1374510-76-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/9/E937488.jpg)