4-iminoimidazole-2-carbonitrile

C4H2N4 — CID 140998027

IUPAC4-iminoimidazole-2-carbonitrile
SMILES[H]/N=C1\C=NC(C#N)=N1
InChIInChI=1S/C4H2N4/c5-1-4-7-2-3(6)8-4/h2,6H/b6-3+
InChIKeyIALYKKSSVKKNOH-ZZXKWVIFSA-N
MW106.09 g/mol
LogP-0.03
Rot. Bonds

About 4-iminoimidazole-2-carbonitrile

4-iminoimidazole-2-carbonitrile (PubChem CID 140998027) has the molecular formula C4H2N4 and a molecular weight of 106.09 g/mol. Its IUPAC name is 4-iminoimidazole-2-carbonitrile.

Molecular Properties

Compound Name4-iminoimidazole-2-carbonitrile
PubChem CID140998027
Molecular FormulaC4H2N4
Molecular Weight106.09 g/mol
Exact Mass106.03
IUPAC Name4-iminoimidazole-2-carbonitrile
SMILES[H]/N=C1\C=NC(C#N)=N1
InChIInChI=1S/C4H2N4/c5-1-4-7-2-3(6)8-4/h2,6H/b6-3+
InChIKeyIALYKKSSVKKNOH-ZZXKWVIFSA-N
XLogP-0.03
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.09
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iminoimidazole-2-carbonitrile?
The IUPAC name of 4-iminoimidazole-2-carbonitrile (CID 140998027) is 4-iminoimidazole-2-carbonitrile.
What is the SMILES notation for 4-iminoimidazole-2-carbonitrile?
The canonical SMILES for 4-iminoimidazole-2-carbonitrile is [H]/N=C1\C=NC(C#N)=N1.
What is the InChIKey of 4-iminoimidazole-2-carbonitrile?
The InChIKey is IALYKKSSVKKNOH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H2N4/c5-1-4-7-2-3(6)8-4/h2,6H/b6-3+.
What are the key properties of 4-iminoimidazole-2-carbonitrile?
4-iminoimidazole-2-carbonitrile has a molecular weight of 106.09 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminoimidazole-2-carbonitrile is sourced from PubChem (CID 140998027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).