≥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.
| Canonical Smiles | CN1C(=O)N2C(=N1)C=CC(=N2)Cl |
|---|---|
| IUPAC Name | 6-chloro-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
| InChIKey | JUZYQQYVGWIFRD-UHFFFAOYSA-N |
| INCHI | 1S/C6H5ClN4O/c1-10-6(12)11-5(9-10)3-2-4(7)8-11/h2-3H,1H3 |
| Isomeric SMILES | CN1C(=O)N2C(=N1)C=CC(=N2)Cl |
| PubChem CID | 23000328 |
| Molecular Weight | 184.59 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Triazolones |
| Direct Parent | Aryl 1,2,4-triazolones |
| Alternative Parents | Triazolopyridazines Pyridazines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl 1,2,4-triazol-3-one - Triazolopyridazine - Aryl chloride - Aryl halide - Pyridazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Melt Point(°C) | 174-176° |
|---|---|
| Molecular Weight | 184.580 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 184.015 Da |
| Monoisotopic Mass | 184.015 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| 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-chloro-2-methyl[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one - ≥95% , CAS No.65866-54-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)