4-(benzotriazol-1-ylmethylamino)phenol

C13H12N4O — CID 899653

IUPAC4-(benzotriazol-1-ylmethylamino)phenol
SMILESOc1ccc(NCn2nnc3ccccc32)cc1
InChIInChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2
InChIKeyFGZLHPMNJNFFNE-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.21
Rot. Bonds3

About 4-(benzotriazol-1-ylmethylamino)phenol

4-(benzotriazol-1-ylmethylamino)phenol (PubChem CID 899653) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethylamino)phenol.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethylamino)phenol
PubChem CID899653
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(benzotriazol-1-ylmethylamino)phenol
SMILESOc1ccc(NCn2nnc3ccccc32)cc1
InChIInChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2
InChIKeyFGZLHPMNJNFFNE-UHFFFAOYSA-N
XLogP2.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(benzotriazol-1-ylmethylamino)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 4-(benzotriazol-1-ylmethylamino)phenol?
The IUPAC name of 4-(benzotriazol-1-ylmethylamino)phenol (CID 899653) is 4-(benzotriazol-1-ylmethylamino)phenol.
What is the SMILES notation for 4-(benzotriazol-1-ylmethylamino)phenol?
The canonical SMILES for 4-(benzotriazol-1-ylmethylamino)phenol is Oc1ccc(NCn2nnc3ccccc32)cc1.
What is the InChIKey of 4-(benzotriazol-1-ylmethylamino)phenol?
The InChIKey is FGZLHPMNJNFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2.
What are the key properties of 4-(benzotriazol-1-ylmethylamino)phenol?
4-(benzotriazol-1-ylmethylamino)phenol has a molecular weight of 240.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethylamino)phenol is sourced from PubChem (CID 899653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).