5-Methylimidazole-4-carbonitrile - CAS 108257-41-6
Catalog: |
BB002212 |
Product Name: |
5-Methylimidazole-4-carbonitrile |
CAS: |
108257-41-6 |
Synonyms: |
5-methyl-1H-imidazole-4-carbonitrile; 5-methyl-1H-imidazole-4-carbonitrile |
IUPAC Name: | 5-methyl-1H-imidazole-4-carbonitrile |
Description: | 5-Methylimidazole-4-carbonitrile (CAS# 108257-41-6) is a useful research chemical. |
Molecular Weight: | 107.11 |
Molecular Formula: | C5H5N3 |
Canonical SMILES: | CC1=C(N=CN1)C#N |
InChI: | InChI=1S/C5H5N3/c1-4-5(2-6)8-3-7-4/h3H,1H3,(H,7,8) |
InChI Key: | KODWZZOTTOSNLW-UHFFFAOYSA-N |
LogP: | 0.28138 |
Publication Number | Title | Priority Date |
WO-2021064141-A1 | Inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1b | 20191002 |
WO-2011050160-A1 | Pharmaceuticals, compositions and methods of making and using the same | 20091022 |
US-2011006670-A1 | Organic electroluminescence element, new compound for the same, display device and lighting device using the same | 20090707 |
US-8367224-B2 | Organic electroluminescence element, new compound for the same, display device and lighting device using the same | 20090707 |
US-2010045171-A1 | Organic electroluminescence element, lighting device and display device | 20060908 |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 107.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 107.048347172 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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