2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile

C11H6N6 — CID 136623282

IUPAC2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(/N=N/c2ccccc2)[nH]c1C#N
InChIInChI=1S/C11H6N6/c12-6-9-10(7-13)15-11(14-9)17-16-8-4-2-1-3-5-8/h1-5H,(H,14,15)/b17-16+
InChIKeyVUHQYVZVVALQBV-WUKNDPDISA-N
MW222.21 g/mol
LogP2.57
Rot. Bonds2

About 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile

2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile (PubChem CID 136623282) has the molecular formula C11H6N6 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
PubChem CID136623282
Molecular FormulaC11H6N6
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(/N=N/c2ccccc2)[nH]c1C#N
InChIInChI=1S/C11H6N6/c12-6-9-10(7-13)15-11(14-9)17-16-8-4-2-1-3-5-8/h1-5H,(H,14,15)/b17-16+
InChIKeyVUHQYVZVVALQBV-WUKNDPDISA-N
XLogP2.57
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile (CID 136623282) is 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(/N=N/c2ccccc2)[nH]c1C#N.
What is the InChIKey of 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is VUHQYVZVVALQBV-WUKNDPDISA-N. The full InChI is InChI=1S/C11H6N6/c12-6-9-10(7-13)15-11(14-9)17-16-8-4-2-1-3-5-8/h1-5H,(H,14,15)/b17-16+.
What are the key properties of 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile?
2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 222.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 136623282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).