2-methyl-1H-imidazole-4,5-dicarbonitrile

C6H4N4 — CID 3847698

IUPAC2-methyl-1H-imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C6H4N4/c1-4-9-5(2-7)6(3-8)10-4/h1H3,(H,9,10)
InChIKeyZEAVNOQDMHVDLU-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.46
Rot. Bonds

About 2-methyl-1H-imidazole-4,5-dicarbonitrile

2-methyl-1H-imidazole-4,5-dicarbonitrile (PubChem CID 3847698) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-methyl-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1H-imidazole-4,5-dicarbonitrile
PubChem CID3847698
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Name2-methyl-1H-imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C6H4N4/c1-4-9-5(2-7)6(3-8)10-4/h1H3,(H,9,10)
InChIKeyZEAVNOQDMHVDLU-UHFFFAOYSA-N
XLogP0.46
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-1H-imidazole-4,5-dicarbonitrile (CID 3847698) is 2-methyl-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-1H-imidazole-4,5-dicarbonitrile is Cc1nc(C#N)c(C#N)[nH]1.
What is the InChIKey of 2-methyl-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is ZEAVNOQDMHVDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4/c1-4-9-5(2-7)6(3-8)10-4/h1H3,(H,9,10).
What are the key properties of 2-methyl-1H-imidazole-4,5-dicarbonitrile?
2-methyl-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 132.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 3847698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).