5-cyano-1H-imidazole-4-diazonium

C4H2N5+ — CID 4684630

IUPAC5-cyano-1H-imidazole-4-diazonium
SMILESN#Cc1[nH]cnc1[N+]#N
InChIInChI=1S/C4H2N5/c5-1-3-4(9-6)8-2-7-3/h2H,(H,7,8)/q+1
InChIKeyNIJKNWCVUACOAW-UHFFFAOYSA-N
MW120.09 g/mol
LogP0.77
Rot. Bonds

About 5-cyano-1H-imidazole-4-diazonium

5-cyano-1H-imidazole-4-diazonium (PubChem CID 4684630) has the molecular formula C4H2N5+ and a molecular weight of 120.09 g/mol. Its IUPAC name is 5-cyano-1H-imidazole-4-diazonium.

Molecular Properties

Compound Name5-cyano-1H-imidazole-4-diazonium
PubChem CID4684630
Molecular FormulaC4H2N5+
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Name5-cyano-1H-imidazole-4-diazonium
SMILESN#Cc1[nH]cnc1[N+]#N
InChIInChI=1S/C4H2N5/c5-1-3-4(9-6)8-2-7-3/h2H,(H,7,8)/q+1
InChIKeyNIJKNWCVUACOAW-UHFFFAOYSA-N
XLogP0.77
TPSA80.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-1H-imidazole-4-diazonium?
The IUPAC name of 5-cyano-1H-imidazole-4-diazonium (CID 4684630) is 5-cyano-1H-imidazole-4-diazonium.
What is the SMILES notation for 5-cyano-1H-imidazole-4-diazonium?
The canonical SMILES for 5-cyano-1H-imidazole-4-diazonium is N#Cc1[nH]cnc1[N+]#N.
What is the InChIKey of 5-cyano-1H-imidazole-4-diazonium?
The InChIKey is NIJKNWCVUACOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N5/c5-1-3-4(9-6)8-2-7-3/h2H,(H,7,8)/q+1.
What are the key properties of 5-cyano-1H-imidazole-4-diazonium?
5-cyano-1H-imidazole-4-diazonium has a molecular weight of 120.09 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1H-imidazole-4-diazonium is sourced from PubChem (CID 4684630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).