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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | C1CC(OC1)C2=NN=C3N2N=C(C=C3)Cl |
|---|---|
| IUPAC Name | 6-chloro-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine |
| InChIKey | HURZYRQDOKOZMA-UHFFFAOYSA-N |
| INCHI | 1S/C9H9ClN4O/c10-7-3-4-8-11-12-9(14(8)13-7)6-2-1-5-15-6/h3-4,6H,1-2,5H2 |
| Isomeric SMILES | C1CC(OC1)C2=NN=C3N2N=C(C=C3)Cl |
| PubChem CID | 43144399 |
| Molecular Weight | 224.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyridazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyridazines |
| Alternative Parents | Pyridazines and derivatives Aryl chlorides Triazoles Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyridazine - Aryl chloride - Aryl halide - Pyridazine - Azole - Heteroaromatic compound - Oxolane - 1,2,4-triazole - Dialkyl ether - Ether - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyridazines. These are polycyclic compounds containing a triazole fused to a pyridazine. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridazine is a six-membered aromatic ring with two adjacent nitrogen atoms, and for carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 224.650 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 224.046 Da |
| Monoisotopic Mass | 224.046 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |