≥90% 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 | COC1=CC=C(C=C1)N2C(=O)C=C3C(=N2)C(=NN3)N |
|---|---|
| IUPAC Name | 3-amino-5-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one |
| InChIKey | PAQDIKCFPDNCQQ-UHFFFAOYSA-N |
| INCHI | 1S/C12H11N5O2/c1-19-8-4-2-7(3-5-8)17-10(18)6-9-11(16-17)12(13)15-14-9/h2-6,14H,1H3,(H2,13,15) |
| Isomeric SMILES | COC1=CC=C(C=C1)N2C(=O)C=C3C(=N2)C(=NN3)N |
| PubChem CID | 6413030 |
| Molecular Weight | 257.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Methoxyanilines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Pyridazinones Alkyl aryl ethers Imidolactams Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Pyridazine - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Lactam - Azacycle - Ether - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group. |
| External Descriptors | Not available |
| Molecular Weight | 257.250 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 257.091 Da |
| Monoisotopic Mass | 257.091 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 |
![3-amino-5-(4-methoxyphenyl)-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one - ≥90% , CAS No.338395-98-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)