phenyl-[4-(2H-triazol-4-yl)phenyl]diazene

C14H11N5 — CID 134912604

IUPACphenyl-[4-(2H-triazol-4-yl)phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(-c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C14H11N5/c1-2-4-12(5-3-1)16-17-13-8-6-11(7-9-13)14-10-15-19-18-14/h1-10H,(H,15,18,19)/b17-16+
InChIKeyHLETXAZRRNDPFR-WUKNDPDISA-N
MW249.28 g/mol
LogP3.89
Rot. Bonds3

About phenyl-[4-(2H-triazol-4-yl)phenyl]diazene

phenyl-[4-(2H-triazol-4-yl)phenyl]diazene (PubChem CID 134912604) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is phenyl-[4-(2H-triazol-4-yl)phenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-(2H-triazol-4-yl)phenyl]diazene
PubChem CID134912604
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Namephenyl-[4-(2H-triazol-4-yl)phenyl]diazene
SMILESc1ccc(/N=N/c2ccc(-c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C14H11N5/c1-2-4-12(5-3-1)16-17-13-8-6-11(7-9-13)14-10-15-19-18-14/h1-10H,(H,15,18,19)/b17-16+
InChIKeyHLETXAZRRNDPFR-WUKNDPDISA-N
XLogP3.89
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
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 phenyl-[4-(2H-triazol-4-yl)phenyl]diazene?
The IUPAC name of phenyl-[4-(2H-triazol-4-yl)phenyl]diazene (CID 134912604) is phenyl-[4-(2H-triazol-4-yl)phenyl]diazene.
What is the SMILES notation for phenyl-[4-(2H-triazol-4-yl)phenyl]diazene?
The canonical SMILES for phenyl-[4-(2H-triazol-4-yl)phenyl]diazene is c1ccc(/N=N/c2ccc(-c3cn[nH]n3)cc2)cc1.
What is the InChIKey of phenyl-[4-(2H-triazol-4-yl)phenyl]diazene?
The InChIKey is HLETXAZRRNDPFR-WUKNDPDISA-N. The full InChI is InChI=1S/C14H11N5/c1-2-4-12(5-3-1)16-17-13-8-6-11(7-9-13)14-10-15-19-18-14/h1-10H,(H,15,18,19)/b17-16+.
What are the key properties of phenyl-[4-(2H-triazol-4-yl)phenyl]diazene?
phenyl-[4-(2H-triazol-4-yl)phenyl]diazene has a molecular weight of 249.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2H-triazol-4-yl)phenyl]diazene is sourced from PubChem (CID 134912604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).