5-amino-2-(5-chlorobenzotriazol-2-yl)phenol

C12H9ClN4O — CID 18668107

IUPAC5-amino-2-(5-chlorobenzotriazol-2-yl)phenol
SMILESNc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1
InChIInChI=1S/C12H9ClN4O/c13-7-1-3-9-10(5-7)16-17(15-9)11-4-2-8(14)6-12(11)18/h1-6,18H,14H2
InChIKeyQERICJBLCMCUSE-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.36
Rot. Bonds1

About 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol

5-amino-2-(5-chlorobenzotriazol-2-yl)phenol (PubChem CID 18668107) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name5-amino-2-(5-chlorobenzotriazol-2-yl)phenol
PubChem CID18668107
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name5-amino-2-(5-chlorobenzotriazol-2-yl)phenol
SMILESNc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1
InChIInChI=1S/C12H9ClN4O/c13-7-1-3-9-10(5-7)16-17(15-9)11-4-2-8(14)6-12(11)18/h1-6,18H,14H2
InChIKeyQERICJBLCMCUSE-UHFFFAOYSA-N
XLogP2.36
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol?
The IUPAC name of 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol (CID 18668107) is 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol.
What is the SMILES notation for 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol?
The canonical SMILES for 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol is Nc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1.
What is the InChIKey of 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol?
The InChIKey is QERICJBLCMCUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-7-1-3-9-10(5-7)16-17(15-9)11-4-2-8(14)6-12(11)18/h1-6,18H,14H2.
What are the key properties of 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol?
5-amino-2-(5-chlorobenzotriazol-2-yl)phenol has a molecular weight of 260.68 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chlorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 18668107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).