≥95% 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=NC(=C1)CN2C(=C(N=N2)C(=O)N)N |
|---|---|
| IUPAC Name | 5-amino-1-(pyridin-2-ylmethyl)triazole-4-carboxamide |
| InChIKey | SMSPFHVYGOWNRF-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N6O/c10-8-7(9(11)16)13-14-15(8)5-6-3-1-2-4-12-6/h1-4H,5,10H2,(H2,11,16) |
| Isomeric SMILES | C1=CC=NC(=C1)CN2C(=C(N=N2)C(=O)N)N |
| PubChem CID | 25919005 |
| Molecular Weight | 218.21 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Pyridines and derivatives Vinylogous amides Triazoles Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Pyridine - Azole - 1,2,3-triazole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 218.220 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.092 Da |
| Monoisotopic Mass | 218.092 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 260.000 |
| 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 |
