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 | CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3 |
|---|---|
| IUPAC Name | 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine |
| InChIKey | FZCLCZFKPUJXFM-UHFFFAOYSA-N |
| INCHI | 1S/C18H19F3N6/c1-12-4-3-5-13(2)16(12)26-10-8-25(9-11-26)15-7-6-14-22-23-17(18(19,20)21)27(14)24-15/h3-7H,8-11H2,1-2H3 |
| Isomeric SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3 |
| PubChem CID | 1479660 |
| Molecular Weight | 376.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Triazolopyridazines m-Xylenes Dialkylarylamines Aniline and substituted anilines Aminopyridazines Imidolactams Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Phenylpiperazine - Triazolopyridazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - M-xylene - Xylene - Aminopyridazine - Pyridazine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Azole - 1,2,4-triazole - Heteroaromatic compound - Tertiary amine - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 376.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 376.162 Da |
| Monoisotopic Mass | 376.162 Da |
| Topological Polar Surface Area | 49.600 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 500.000 |
| 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-[4-(2,6-Dimethylphenyl)piperazino]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine , CAS No.338962-60-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)