≥98% 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 | C1CC(=O)NN=C1C2=CC=C(C=C2)NC3=CC=NC=C3 |
|---|---|
| IUPAC Name | 3-[4-(pyridin-4-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one |
| InChIKey | XEBRQQXYWHMEQW-UHFFFAOYSA-N |
| INCHI | 1S/C15H14N4O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13/h1-4,7-10H,5-6H2,(H,16,17)(H,19,20) |
| Isomeric SMILES | C1CC(=O)NN=C1C2=CC=C(C=C2)NC3=CC=NC=C3 |
| Alternate CAS | 98326-32-0 |
| PubChem CID | 123942 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Pyridazinones Aminopyridines and derivatives Heteroaromatic compounds Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aniline or substituted anilines - Aminopyridine - Pyridazinone - Pyridazine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 266.300 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 266.117 Da |
| Monoisotopic Mass | 266.117 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |
