1-ethylimidazole-4,5-dicarbonitrile

C7H6N4 — CID 15721926

IUPAC1-ethylimidazole-4,5-dicarbonitrile
SMILESCCn1cnc(C#N)c1C#N
InChIInChI=1S/C7H6N4/c1-2-11-5-10-6(3-8)7(11)4-9/h5H,2H2,1H3
InChIKeyRAFSTXGDSLCINC-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.65
Rot. Bonds1

About 1-ethylimidazole-4,5-dicarbonitrile

1-ethylimidazole-4,5-dicarbonitrile (PubChem CID 15721926) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-ethylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-ethylimidazole-4,5-dicarbonitrile
PubChem CID15721926
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name1-ethylimidazole-4,5-dicarbonitrile
SMILESCCn1cnc(C#N)c1C#N
InChIInChI=1S/C7H6N4/c1-2-11-5-10-6(3-8)7(11)4-9/h5H,2H2,1H3
InChIKeyRAFSTXGDSLCINC-UHFFFAOYSA-N
XLogP0.65
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-ethylimidazole-4,5-dicarbonitrile (CID 15721926) is 1-ethylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-ethylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-ethylimidazole-4,5-dicarbonitrile is CCn1cnc(C#N)c1C#N.
What is the InChIKey of 1-ethylimidazole-4,5-dicarbonitrile?
The InChIKey is RAFSTXGDSLCINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-11-5-10-6(3-8)7(11)4-9/h5H,2H2,1H3.
What are the key properties of 1-ethylimidazole-4,5-dicarbonitrile?
1-ethylimidazole-4,5-dicarbonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 15721926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).