≥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.
| Canonical Smiles | CC1=NC2=NC=NN2C(=C1)C(=O)O |
|---|---|
| IUPAC Name | 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid |
| InChIKey | RKAWJDPFMFPHRW-UHFFFAOYSA-N |
| INCHI | 1S/C7H6N4O2/c1-4-2-5(6(12)13)11-7(10-4)8-3-9-11/h2-3H,1H3,(H,12,13) |
| Molecular Weight | 178.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Pyrimidinecarboxylic acids Triazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 178.150 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.049 Da |
| Monoisotopic Mass | 178.049 Da |
| Topological Polar Surface Area | 80.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
![5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid - ≥97% , CAS No.860175-75-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)