≥98% 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=C(C(N2C(=NC=N2)N1)C3=CC=CC=C3Cl)C(=O)N |
|---|---|
| IUPAC Name | 7-(2-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| InChIKey | LXUNKLLFUDNZAT-UHFFFAOYSA-N |
| INCHI | 1S/C13H12ClN5O/c1-7-10(12(15)20)11(8-4-2-3-5-9(8)14)19-13(18-7)16-6-17-19/h2-6,11H,1H3,(H2,15,20)(H,16,17,18) |
| Molecular Weight | 289.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Pyrimidinecarboxamides Chlorobenzenes Hydropyrimidines Aryl chlorides Triazolines Primary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Organochlorides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Pyrimidinecarboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,6-dihydropyrimidine - Triazoline - Carboxylic acid amidrazone - Carboxamide group - Primary carboxylic acid amide - Amidine - Formamidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - 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 | 289.720 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 289.073 Da |
| Monoisotopic Mass | 289.073 Da |
| Topological Polar Surface Area | 85.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 440.000 |
| 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 |
![7-(2-Chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide - ≥98% , CAS No.536999-03-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)