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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC=NC=C4 |
|---|---|
| IUPAC Name | 6-[(4-methoxyphenoxy)methyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| InChIKey | ACNCTYMZXJIROI-UHFFFAOYSA-N |
| INCHI | 1S/C16H13N5O2S/c1-22-12-2-4-13(5-3-12)23-10-14-20-21-15(18-19-16(21)24-14)11-6-8-17-9-7-11/h2-9H,10H2,1H3 |
| Peso molecular | 339.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Pyridyltriazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridyl-1,2,4-triazoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Triazoles Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridyl-1,2,4-triazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Thiadiazole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring. |
| External Descriptors | Not available |
| Peso molecular | 339.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 339.079 Da |
| Monoisotopic Mass | 339.079 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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 |
![6-[(4-Methoxyphenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole , CAS No.1438398-32-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)