≥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 | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3C4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)N=N3 |
|---|---|
| IUPAC Name | [5-(4-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone |
| InChIKey | GQZISVAEKVEVFV-UHFFFAOYSA-N |
| INCHI | 1S/C23H18ClF3N6O/c24-17-6-4-15(5-7-17)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)18-3-1-2-16(14-18)23(25,26)27/h1-9,14H,10-13H2 |
| Isomeric SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3C4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)N=N3 |
| Molecular Weight | 486.88 |
| Reaxy-Rn | 19947271 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19947271&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Phenylpyridines N-arylpiperazines Trifluoromethylbenzenes Triazolopyridines Piperazine carboxamides Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Triazoles Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - 2-phenylpyridine - N-arylpiperazine - Trifluoromethylbenzene - Piperazine-1-carboxamide - Triazolopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - 1,2,3-triazole - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Molecular Weight | 486.900 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 486.118 Da |
| Monoisotopic Mass | 486.118 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 713.000 |
| 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 |
![(5-(4-Chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone - ≥95% CAS No(1072874-79-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/1/C189581.png)