≥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 | C1=CC=C(C=C1)CNC2=NN=C3N2C=C(C=C3)C(=O)O |
|---|---|
| IUPAC Name | 3-(benzylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| InChIKey | XVMADBRFMHTYQY-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N4O2/c19-13(20)11-6-7-12-16-17-14(18(12)9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,17)(H,19,20) |
| Isomeric SMILES | C1=CC=C(C=C1)CNC2=NN=C3N2C=C(C=C3)C(=O)O |
| PubChem CID | 25219276 |
| Molecular Weight | 268.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyridines |
| Alternative Parents | Pyridinecarboxylic acids Benzylamines Vinylogous amides Triazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Triazolopyridine - Benzylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Vinylogous amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 268.270 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 268.096 Da |
| Monoisotopic Mass | 268.096 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| 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-(Benzylamino)[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid - ≥97% , CAS No.1119452-12-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)