≥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.
| Sonrisas canónicas | C1=NC(=C(C2=NNC(=O)N21)N)Cl |
|---|---|
| IUPAC Name | 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one |
| InChIKey | XYZPQHDOYCOWBK-UHFFFAOYSA-N |
| INCHI | 1S/C5H4ClN5O/c6-3-2(7)4-9-10-5(12)11(4)1-8-3/h1H,7H2,(H,10,12) |
| Peso molecular | 185.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Triazolones |
| Direct Parent | Aryl 1,2,4-triazolones |
| Alternative Parents | Triazolopyrimidines Halopyrimidines Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl 1,2,4-triazol-3-one - Triazolopyrimidine - Halopyrimidine - Aminopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 185.570 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 185.01 Da |
| Monoisotopic Mass | 185.01 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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 |
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