3-Oxo-2,3-dihydropyridazine-4-carbonitrile
Product Specifications
- CAS
- 64882-65-1
- MF
- C5H3N3O
- Appearance
- pale-brown solid
- Synonym(s)
- 3-Oxo-2,3-dihydropyridazine-4-carbonitrile；3-Hydroxy-4-cyan-pyridazin；3-Hydroxypyridazine-4-carbonitrile; 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-; 2,3-dihydro-3-oxo-4-Pyridazinecarbonitrile
- Shipping
- ambient temperature
- Storage
- 2-8°C
CAS 64882-65-1 resolves to PubChem CID 12376256, titled 3-Oxo-2,3-dihydropyridazine-4-carbonitrile. The verified formula is C5H3N3O, with SMILES C1=C(C(=O)NN=C1)C#N and InChIKey CPZLKSSMZLLSBN-UHFFFAOYSA-N. These identifiers match the Rlavie structure for the former “4-cyanopyridazin-3(2H)-one” wording.
The six-membered pyridazine framework contains two adjacent ring nitrogens. Position 3 carries the oxo group in the recorded lactam form, with hydrogen on position-2 nitrogen, while position 4 connects to the carbon atom of a nitrile group. Describing that substituent as “4-cyano” or using “4-carbonitrile” as a suffix does not change the bond graph. Five carbons, three nitrogens, and one oxygen give formula C5H3N3O. The official representation is a single neutral component and contains no stereochemical encoding. Because the exact SMILES and InChI retain both the oxo position and nitrile attachment, the revised heading does not infer a different tautomer or neighboring carbonitrile isomer.
Begin an Rlavie inquiry with CAS 64882-65-1 and CID 12376256, then provide the requested quantity and request-specific information. A MOL or SDF structure file is helpful when the request originates from a drawn heterocycle; its carbonyl, adjacent N-H, and nitrile connection should agree with C1=C(C(=O)NN=C1)C#N. Quoting InChIKey CPZLKSSMZLLSBN-UHFFFAOYSA-N gives another exact checkpoint for associating the message with this precise lactam record in the catalog.