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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.
| Sonrisas canónicas | CC1=C(C(N2C(=NC=N2)N1)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| InChIKey | DDFVPXLSODINQL-UHFFFAOYSA-N |
| INCHI | 1S/C18H16N6O/c1-12-15(17(25)23-14-5-3-2-4-6-14)16(13-7-9-19-10-8-13)24-18(22-12)20-11-21-24/h2-11,16H,1H3,(H,23,25)(H,20,21,22) |
| Peso molecular | 332.4 |
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 | Pyrimidinecarboxamides Anilides N-arylamides Pyridines and derivatives Hydropyrimidines Triazolines Heteroaromatic compounds Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Carbonyl compounds Organic oxides Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrimidinecarboxamide - Triazolopyrimidine - Anilide - N-arylamide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Pyridine - Benzenoid - Triazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Formamidine - Carboxylic acid derivative - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Imine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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 | 332.400 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 332.139 Da |
| Monoisotopic Mass | 332.139 Da |
| Topological Polar Surface Area | 84.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 524.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-methyl-N-phenyl-7-(4-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide , CAS No.385787-33-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)