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

C20H15N5O — CID 135512763

IUPAC5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol
SMILESOc1cc(-c2ccccc2)c(/N=N/c2ccccc2)cc1-n1cncn1
InChIInChI=1S/C20H15N5O/c26-20-11-17(15-7-3-1-4-8-15)18(12-19(20)25-14-21-13-22-25)24-23-16-9-5-2-6-10-16/h1-14,26H/b24-23+
InChIKeyZTOUUVHRJHIUEL-WCWDXBQESA-N
MW341.37 g/mol
LogP5.06
Rot. Bonds4

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

5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol (PubChem CID 135512763) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol
PubChem CID135512763
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol
SMILESOc1cc(-c2ccccc2)c(/N=N/c2ccccc2)cc1-n1cncn1
InChIInChI=1S/C20H15N5O/c26-20-11-17(15-7-3-1-4-8-15)18(12-19(20)25-14-21-13-22-25)24-23-16-9-5-2-6-10-16/h1-14,26H/b24-23+
InChIKeyZTOUUVHRJHIUEL-WCWDXBQESA-N
XLogP5.06
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.06
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 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol?
The IUPAC name of 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol (CID 135512763) is 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol is Oc1cc(-c2ccccc2)c(/N=N/c2ccccc2)cc1-n1cncn1.
What is the InChIKey of 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol?
The InChIKey is ZTOUUVHRJHIUEL-WCWDXBQESA-N. The full InChI is InChI=1S/C20H15N5O/c26-20-11-17(15-7-3-1-4-8-15)18(12-19(20)25-14-21-13-22-25)24-23-16-9-5-2-6-10-16/h1-14,26H/b24-23+.
What are the key properties of 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol?
5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol has a molecular weight of 341.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-phenyldiazenyl-2-(1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 135512763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).