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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 | CCOC(=O)C1=CC=CN2C1=NN=C2CC3CCN(CC3)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | ethyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate |
| InChIKey | QICKTHOPVGHADR-UHFFFAOYSA-N |
| INCHI | 1S/C20H28N4O4/c1-5-27-18(25)15-7-6-10-24-16(21-22-17(15)24)13-14-8-11-23(12-9-14)19(26)28-20(2,3)4/h6-7,10,14H,5,8-9,11-13H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1=CC=CN2C1=NN=C2CC3CCN(CC3)C(=O)OC(C)(C)C |
| PubChem CID | 71299792 |
| Molecular Weight | 388.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Piperidinecarboxylic acids Vinylogous amides Triazoles Heteroaromatic compounds Carbamate esters Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Piperidinecarboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Triazolopyridine - Piperidine - Pyridine - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carbamic acid ester - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen 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 | 388.500 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 388.211 Da |
| Monoisotopic Mass | 388.211 Da |
| Topological Polar Surface Area | 86.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 557.000 |
| 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 |
