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

C14H11N5O — CID 86246345

IUPAC5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol
SMILESOc1cc(/N=N/c2ccccc2)ccc1-n1cnnc1
InChIInChI=1S/C14H11N5O/c20-14-8-12(18-17-11-4-2-1-3-5-11)6-7-13(14)19-9-15-16-10-19/h1-10,20H/b18-17+
InChIKeyWKLSGSOHAKEDPJ-ISLYRVAYSA-N
MW265.28 g/mol
LogP3.39
Rot. Bonds3

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

5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol (PubChem CID 86246345) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol.

Molecular Properties

Compound Name5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol
PubChem CID86246345
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol
SMILESOc1cc(/N=N/c2ccccc2)ccc1-n1cnnc1
InChIInChI=1S/C14H11N5O/c20-14-8-12(18-17-11-4-2-1-3-5-11)6-7-13(14)19-9-15-16-10-19/h1-10,20H/b18-17+
InChIKeyWKLSGSOHAKEDPJ-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 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol?
The IUPAC name of 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol (CID 86246345) is 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol.
What is the SMILES notation for 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol?
The canonical SMILES for 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol is Oc1cc(/N=N/c2ccccc2)ccc1-n1cnnc1.
What is the InChIKey of 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol?
The InChIKey is WKLSGSOHAKEDPJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14-8-12(18-17-11-4-2-1-3-5-11)6-7-13(14)19-9-15-16-10-19/h1-10,20H/b18-17+.
What are the key properties of 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol?
5-phenyldiazenyl-2-(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 5-phenyldiazenyl-2-(1,2,4-triazol-4-yl)phenol is sourced from PubChem (CID 86246345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).