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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=CC(=O)C2=NN=CN2N1 |
|---|---|
| IUPAC Name | 6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one |
| InChIKey | VVQUAWREPHCLDH-UHFFFAOYSA-N |
| INCHI | 1S/C6H6N4O/c1-4-2-5(11)6-8-7-3-10(6)9-4/h2-3,9H,1H3 |
| Isómeros SMILES | CC1=CC(=O)C2=NN=CN2N1 |
| PubChem CID | 87709 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Triazolopyridazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyridazines |
| Alternative Parents | Pyridazines and derivatives Vinylogous amides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyridazine - Pyridazine - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 150.140 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.054 Da |
| Monoisotopic Mass | 150.054 Da |
| Topological Polar Surface Area | 59.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |