≥97% 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.
| Sonrisas canónicas | CN1C=C(C=N1)C2=NC3=NC(=NN3C(=C2)C(F)F)CCC(=O)O |
|---|---|
| IUPAC Name | 3-[7-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
| InChIKey | VAJOBSVZHAFTQD-UHFFFAOYSA-N |
| INCHI | 1S/C13H12F2N6O2/c1-20-6-7(5-16-20)8-4-9(12(14)15)21-13(17-8)18-10(19-21)2-3-11(22)23/h4-6,12H,2-3H2,1H3,(H,22,23) |
| Peso molecular | 322.27 |
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 | Pyrimidines and pyrimidine derivatives Triazoles Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Pyrimidine - Azole - Pyrazole - Triazole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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 | 322.270 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 322.099 Da |
| Monoisotopic Mass | 322.099 Da |
| Topological Polar Surface Area | 98.200 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(7-(Difluoromethyl)-5-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid - ≥97% , CAS No.1172979-07-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)