1-ethyl-2-methylimidazole-4-carbonitrile

C7H9N3 — CID 139989602

IUPAC1-ethyl-2-methylimidazole-4-carbonitrile
SMILESCCn1cc(C#N)nc1C
InChIInChI=1S/C7H9N3/c1-3-10-5-7(4-8)9-6(10)2/h5H,3H2,1-2H3
InChIKeyJBGGVNBWGYLBOX-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.08
Rot. Bonds1

About 1-ethyl-2-methylimidazole-4-carbonitrile

1-ethyl-2-methylimidazole-4-carbonitrile (PubChem CID 139989602) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-methylimidazole-4-carbonitrile
PubChem CID139989602
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-ethyl-2-methylimidazole-4-carbonitrile
SMILESCCn1cc(C#N)nc1C
InChIInChI=1S/C7H9N3/c1-3-10-5-7(4-8)9-6(10)2/h5H,3H2,1-2H3
InChIKeyJBGGVNBWGYLBOX-UHFFFAOYSA-N
XLogP1.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethylimidazole-4-carbonitrile;ethane
CID 143126435
N-(cyanomethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
CID 62064624
N-(1-cyanoethyl)-1-ethyl-N,2-dimethylimidazole-4-sulfonamide
CID 62064978
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 79504055
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
7-[(1-ethyl-2-methylimidazol-4-yl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 170949765
1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile
CID 177117820
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
2-(1H-imidazol-2-yl)-1-methylimidazole-4-carbonitrile
CID 135708785
1-ethyl-2-methyl-N-(1-oxothiolan-1-ylidene)imidazole-4-sulfonamide
CID 146103570

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazole-4-carbonitrile?
The IUPAC name of 1-ethyl-2-methylimidazole-4-carbonitrile (CID 139989602) is 1-ethyl-2-methylimidazole-4-carbonitrile.
What is the SMILES notation for 1-ethyl-2-methylimidazole-4-carbonitrile?
The canonical SMILES for 1-ethyl-2-methylimidazole-4-carbonitrile is CCn1cc(C#N)nc1C.
What is the InChIKey of 1-ethyl-2-methylimidazole-4-carbonitrile?
The InChIKey is JBGGVNBWGYLBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-10-5-7(4-8)9-6(10)2/h5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylimidazole-4-carbonitrile?
1-ethyl-2-methylimidazole-4-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazole-4-carbonitrile is sourced from PubChem (CID 139989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).