1-methylimidazole-4,5-dicarbonitrile

C6H4N4 — CID 583268

IUPAC1-methylimidazole-4,5-dicarbonitrile
SMILESCn1cnc(C#N)c1C#N
InChIInChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3
InChIKeySUOVGHDPXJUFME-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.16
Rot. Bonds

About 1-methylimidazole-4,5-dicarbonitrile

1-methylimidazole-4,5-dicarbonitrile (PubChem CID 583268) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is 1-methylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-methylimidazole-4,5-dicarbonitrile
PubChem CID583268
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Name1-methylimidazole-4,5-dicarbonitrile
SMILESCn1cnc(C#N)c1C#N
InChIInChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3
InChIKeySUOVGHDPXJUFME-UHFFFAOYSA-N
XLogP0.16
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dicyanoimidazole
CID 70729
5-amino-1-methyl-1H-imidazole-4-carbonitrile
CID 11051635
1-Methyl-1H-imidazole-4-carbonitrile
CID 2795115
5-bromo-1-methyl-1H-imidazole-4-carbonitrile
CID 84049009
4-amino-1-methyl-1H-imidazole-5-carbonitrile
CID 407624
1-Methyl-1H-imidazole-5-carbonitrile
CID 2795425
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
CID 146682601
1,4,5-Trimethyl-1H-imidazole
CID 573598
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
(Z)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 10352234
4-chloro-1-methyl-1H-imidazole-5-carbonitrile
CID 145867138

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-methylimidazole-4,5-dicarbonitrile (CID 583268) is 1-methylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-methylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-methylimidazole-4,5-dicarbonitrile is Cn1cnc(C#N)c1C#N.
What is the InChIKey of 1-methylimidazole-4,5-dicarbonitrile?
The InChIKey is SUOVGHDPXJUFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3.
What are the key properties of 1-methylimidazole-4,5-dicarbonitrile?
1-methylimidazole-4,5-dicarbonitrile has a molecular weight of 132.13 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).