phenyl-(2-phenyltriazol-4-yl)diazene

C14H11N5 — CID 12597172

IUPACphenyl-(2-phenyltriazol-4-yl)diazene
SMILESc1ccc(/N=N/c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N5/c1-3-7-12(8-4-1)16-17-14-11-15-19(18-14)13-9-5-2-6-10-13/h1-11H/b17-16+
InChIKeyFOWABXHHYWXERM-WUKNDPDISA-N
MW249.28 g/mol
LogP3.68
Rot. Bonds3

About phenyl-(2-phenyltriazol-4-yl)diazene

phenyl-(2-phenyltriazol-4-yl)diazene (PubChem CID 12597172) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is phenyl-(2-phenyltriazol-4-yl)diazene.

Molecular Properties

Compound Namephenyl-(2-phenyltriazol-4-yl)diazene
PubChem CID12597172
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Namephenyl-(2-phenyltriazol-4-yl)diazene
SMILESc1ccc(/N=N/c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N5/c1-3-7-12(8-4-1)16-17-14-11-15-19(18-14)13-9-5-2-6-10-13/h1-11H/b17-16+
InChIKeyFOWABXHHYWXERM-WUKNDPDISA-N
XLogP3.68
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
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 phenyl-(2-phenyltriazol-4-yl)diazene?
The IUPAC name of phenyl-(2-phenyltriazol-4-yl)diazene (CID 12597172) is phenyl-(2-phenyltriazol-4-yl)diazene.
What is the SMILES notation for phenyl-(2-phenyltriazol-4-yl)diazene?
The canonical SMILES for phenyl-(2-phenyltriazol-4-yl)diazene is c1ccc(/N=N/c2cnn(-c3ccccc3)n2)cc1.
What is the InChIKey of phenyl-(2-phenyltriazol-4-yl)diazene?
The InChIKey is FOWABXHHYWXERM-WUKNDPDISA-N. The full InChI is InChI=1S/C14H11N5/c1-3-7-12(8-4-1)16-17-14-11-15-19(18-14)13-9-5-2-6-10-13/h1-11H/b17-16+.
What are the key properties of phenyl-(2-phenyltriazol-4-yl)diazene?
phenyl-(2-phenyltriazol-4-yl)diazene has a molecular weight of 249.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyltriazol-4-yl)diazene is sourced from PubChem (CID 12597172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).