4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile

C15H10N4 — CID 59073295

IUPAC4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile
SMILESCc1cc(/N=N/c2ccc(C#N)cc2)ccc1C#N
InChIInChI=1S/C15H10N4/c1-11-8-15(7-4-13(11)10-17)19-18-14-5-2-12(9-16)3-6-14/h2-8H,1H3/b19-18+
InChIKeyYNGLLXUUUXUBQU-VHEBQXMUSA-N
MW246.27 g/mol
LogP4.15
Rot. Bonds2

About 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile

4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile (PubChem CID 59073295) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile
PubChem CID59073295
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile
SMILESCc1cc(/N=N/c2ccc(C#N)cc2)ccc1C#N
InChIInChI=1S/C15H10N4/c1-11-8-15(7-4-13(11)10-17)19-18-14-5-2-12(9-16)3-6-14/h2-8H,1H3/b19-18+
InChIKeyYNGLLXUUUXUBQU-VHEBQXMUSA-N
XLogP4.15
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile?
The IUPAC name of 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile (CID 59073295) is 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile?
The canonical SMILES for 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile is Cc1cc(/N=N/c2ccc(C#N)cc2)ccc1C#N.
What is the InChIKey of 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile?
The InChIKey is YNGLLXUUUXUBQU-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H10N4/c1-11-8-15(7-4-13(11)10-17)19-18-14-5-2-12(9-16)3-6-14/h2-8H,1H3/b19-18+.
What are the key properties of 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile?
4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile has a molecular weight of 246.27 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile is sourced from PubChem (CID 59073295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).