≥90% 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.
| Sonrisas canónicas | C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=N3)N |
|---|---|
| IUPAC Name | 3-(4-benzylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine |
| InChIKey | VWKYWZGILRQBCP-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N6/c14-12-15-13(17-16-12)19-8-6-18(7-9-19)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,14,15,16,17) |
| Isómeros SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=N3)N |
| PubChem CID | 1485849 |
| Peso molecular | 258.33 |
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 |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Phenylmethylamines Dialkylarylamines Benzylamines N-alkylpiperazines Aralkylamines Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Benzylamine - Phenylmethylamine - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - 1,2,4-triazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 258.320 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 258.159 Da |
| Monoisotopic Mass | 258.159 Da |
| Topological Polar Surface Area | 74.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| 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 |
