3-Oxo-2,3-dihydropyridazine-4-carbonitrile - CAS 64882-65-1
Catalog: |
BB032582 |
Product Name: |
3-Oxo-2,3-dihydropyridazine-4-carbonitrile |
CAS: |
64882-65-1 |
Synonyms: |
6-oxo-1H-pyridazine-5-carbonitrile; 6-oxo-1H-pyridazine-5-carbonitrile |
IUPAC Name: | 6-oxo-1H-pyridazine-5-carbonitrile |
Description: | 3-Oxo-2,3-dihydropyridazine-4-carbonitrile (CAS# 64882-65-1) is used as a reactant in the preparation of pyridazines via cyclization, ring transformation, aromatization, and substituent modification. |
Molecular Weight: | 121.10 |
Molecular Formula: | C5H3N3O |
Canonical SMILES: | C1=C(C(=O)NN=C1)C#N |
InChI: | InChI=1S/C5H3N3O/c6-3-4-1-2-7-8-5(4)9/h1-2H,(H,8,9) |
InChI Key: | CPZLKSSMZLLSBN-UHFFFAOYSA-N |
Density: | 1.38 g/cm3 |
LogP: | -0.35842 |
Publication Number | Title | Priority Date |
WO-2020052539-A1 | Pyrimidine derivative, preparation method therefor and use thereof | 20180912 |
JP-2021523104-A | Pyridadinone as a PARP7 inhibitor | 20180430 |
JP-6942896-B2 | Pyridadinone as a PARP7 inhibitor | 20180430 |
AU-2011313150-A1 | 1,4-oxazepane derivatives | 20101007 |
CA-2813911-A1 | 1,4-oxazepane derivatives | 20101007 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.027611728 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.027611728 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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