≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1=NN(C2=C1C(=CC(=N2)N3CCNCC3)C(F)(F)F)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-6-piperazin-1-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine |
| InChIKey | VMFACPLZZIHSCY-UHFFFAOYSA-N |
| INCHI | 1S/C13H16F3N5/c1-8-11-9(13(14,15)16)7-10(18-12(11)20(2)19-8)21-5-3-17-4-6-21/h7,17H,3-6H2,1-2H3 |
| Isomeric SMILES | CC1=NN(C2=C1C(=CC(=N2)N3CCNCC3)C(F)(F)F)C |
| PubChem CID | 24213837 |
| Molecular Weight | 299.3 |
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 | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Pyrazolopyridines Dialkylarylamines Aminopyridines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Pyrazolopyridine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Secondary amine - Secondary aliphatic amine - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 299.290 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.136 Da |
| Monoisotopic Mass | 299.136 Da |
| Topological Polar Surface Area | 46.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
![1,3-dimethyl-6-piperazino-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine - ≥95% , CAS No.952183-62-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)