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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCC1N)C2=NC=CN3C2=NNC3=O |
|---|---|
| IUPAC Name | 8-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
| InChIKey | SLVXEULBUBQROT-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N6O/c11-7-1-4-15(5-2-7)8-9-13-14-10(17)16(9)6-3-12-8/h3,6-7H,1-2,4-5,11H2,(H,14,17) |
| Isomeric SMILES | C1CN(CCC1N)C2=NC=CN3C2=NNC3=O |
| PubChem CID | 51358680 |
| Molecular Weight | 234.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Triazolones |
| Direct Parent | Aryl 1,2,4-triazolones |
| Alternative Parents | Dialkylarylamines Aminopyrazines Aminopiperidines Imidolactams Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl 1,2,4-triazol-3-one - Dialkylarylamine - 4-aminopiperidine - Aminopyrazine - Piperidine - Pyrazine - Imidolactam - Heteroaromatic compound - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 234.260 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.123 Da |
| Monoisotopic Mass | 234.123 Da |
| Topological Polar Surface Area | 86.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 432.000 |
| 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 |