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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=CC=C(C=C3)O)C |
|---|---|
| IUPAC Name | 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-hydroxyphenyl)acetamide |
| InChIKey | BCUZUEIASNEBHT-UHFFFAOYSA-N |
| INCHI | 1S/C15H15N5O2S/c1-9-7-10(2)20-14(16-9)18-15(19-20)23-8-13(22)17-11-3-5-12(21)6-4-11/h3-7,21H,8H2,1-2H3,(H,17,22) |
| Peso molecular | 329.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Anilides N-arylamides Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Anilide - Aryl thioether - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 329.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.095 Da |
| Monoisotopic Mass | 329.095 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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 |
![2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-hydroxyphenyl)acetamide , CAS No.850158-72-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)