4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol

C12H8ClN5O — CID 137189792

IUPAC4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol
SMILESOc1ccc2n[nH]nc2c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN5O/c13-7-1-3-8(4-2-7)14-16-12-10(19)6-5-9-11(12)17-18-15-9/h1-6,19H,(H,15,17,18)/b16-14+
InChIKeyZPDHRKGTEYMDQZ-JQIJEIRASA-N
MW273.68 g/mol
LogP3.73
Rot. Bonds2

About 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol

4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol (PubChem CID 137189792) has the molecular formula C12H8ClN5O and a molecular weight of 273.68 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol
PubChem CID137189792
Molecular FormulaC12H8ClN5O
Molecular Weight273.68 g/mol
Exact Mass273.04
IUPAC Name4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol
SMILESOc1ccc2n[nH]nc2c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN5O/c13-7-1-3-8(4-2-7)14-16-12-10(19)6-5-9-11(12)17-18-15-9/h1-6,19H,(H,15,17,18)/b16-14+
InChIKeyZPDHRKGTEYMDQZ-JQIJEIRASA-N
XLogP3.73
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.73
H-Bond Donors ≤ 52
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 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol (CID 137189792) is 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol is Oc1ccc2n[nH]nc2c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol?
The InChIKey is ZPDHRKGTEYMDQZ-JQIJEIRASA-N. The full InChI is InChI=1S/C12H8ClN5O/c13-7-1-3-8(4-2-7)14-16-12-10(19)6-5-9-11(12)17-18-15-9/h1-6,19H,(H,15,17,18)/b16-14+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol?
4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol has a molecular weight of 273.68 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]-2H-benzotriazol-5-ol is sourced from PubChem (CID 137189792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).