2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol

C14H11N5O — CID 137193516

IUPAC2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol
SMILESOc1cc(-n2cnnc2)ccc1/N=N/c1ccccc1
InChIInChI=1S/C14H11N5O/c20-14-8-12(19-9-15-16-10-19)6-7-13(14)18-17-11-4-2-1-3-5-11/h1-10,20H/b18-17+
InChIKeyUAFBNCZYRLXOKH-ISLYRVAYSA-N
MW265.28 g/mol
LogP3.39
Rot. Bonds3

About 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol

2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol (PubChem CID 137193516) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol.

Molecular Properties

Compound Name2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol
PubChem CID137193516
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol
SMILESOc1cc(-n2cnnc2)ccc1/N=N/c1ccccc1
InChIInChI=1S/C14H11N5O/c20-14-8-12(19-9-15-16-10-19)6-7-13(14)18-17-11-4-2-1-3-5-11/h1-10,20H/b18-17+
InChIKeyUAFBNCZYRLXOKH-ISLYRVAYSA-N
XLogP3.39
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-5-(1,2,4-triazol-4-yl)phenol?
The IUPAC name of 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol (CID 137193516) is 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol.
What is the SMILES notation for 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol?
The canonical SMILES for 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol is Oc1cc(-n2cnnc2)ccc1/N=N/c1ccccc1.
What is the InChIKey of 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol?
The InChIKey is UAFBNCZYRLXOKH-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14-8-12(19-9-15-16-10-19)6-7-13(14)18-17-11-4-2-1-3-5-11/h1-10,20H/b18-17+.
What are the key properties of 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol?
2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol has a molecular weight of 265.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenyl-5-(1,2,4-triazol-4-yl)phenol is sourced from PubChem (CID 137193516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).