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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

Nitrogen Compounds

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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