imidazole-1,5-dicarbonitrile

C5H2N4 — CID 66792956

IUPACimidazole-1,5-dicarbonitrile
SMILESN#Cc1cncn1C#N
InChIInChI=1S/C5H2N4/c6-1-5-2-8-4-9(5)3-7/h2,4H
InChIKeyCZSBPPAFFWACRG-UHFFFAOYSA-N
MW118.10 g/mol
LogP0.08
Rot. Bonds

About imidazole-1,5-dicarbonitrile

imidazole-1,5-dicarbonitrile (PubChem CID 66792956) has the molecular formula C5H2N4 and a molecular weight of 118.10 g/mol. Its IUPAC name is imidazole-1,5-dicarbonitrile.

Molecular Properties

Compound Nameimidazole-1,5-dicarbonitrile
PubChem CID66792956
Molecular FormulaC5H2N4
Molecular Weight118.10 g/mol
Exact Mass118.03
IUPAC Nameimidazole-1,5-dicarbonitrile
SMILESN#Cc1cncn1C#N
InChIInChI=1S/C5H2N4/c6-1-5-2-8-4-9(5)3-7/h2,4H
InChIKeyCZSBPPAFFWACRG-UHFFFAOYSA-N
XLogP0.08
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazole-1,5-dicarbonitrile?
The IUPAC name of imidazole-1,5-dicarbonitrile (CID 66792956) is imidazole-1,5-dicarbonitrile.
What is the SMILES notation for imidazole-1,5-dicarbonitrile?
The canonical SMILES for imidazole-1,5-dicarbonitrile is N#Cc1cncn1C#N.
What is the InChIKey of imidazole-1,5-dicarbonitrile?
The InChIKey is CZSBPPAFFWACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4/c6-1-5-2-8-4-9(5)3-7/h2,4H.
What are the key properties of imidazole-1,5-dicarbonitrile?
imidazole-1,5-dicarbonitrile has a molecular weight of 118.10 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-1,5-dicarbonitrile is sourced from PubChem (CID 66792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).