2-(5-aminobenzotriazol-2-yl)phenol

C12H10N4O — CID 13000701

IUPAC2-(5-aminobenzotriazol-2-yl)phenol
SMILESNc1ccc2nn(-c3ccccc3O)nc2c1
InChIInChI=1S/C12H10N4O/c13-8-5-6-9-10(7-8)15-16(14-9)11-3-1-2-4-12(11)17/h1-7,17H,13H2
InChIKeyBZDXWVOZGMYXCB-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.71
Rot. Bonds1

About 2-(5-aminobenzotriazol-2-yl)phenol

2-(5-aminobenzotriazol-2-yl)phenol (PubChem CID 13000701) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(5-aminobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-aminobenzotriazol-2-yl)phenol
PubChem CID13000701
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(5-aminobenzotriazol-2-yl)phenol
SMILESNc1ccc2nn(-c3ccccc3O)nc2c1
InChIInChI=1S/C12H10N4O/c13-8-5-6-9-10(7-8)15-16(14-9)11-3-1-2-4-12(11)17/h1-7,17H,13H2
InChIKeyBZDXWVOZGMYXCB-UHFFFAOYSA-N
XLogP1.71
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminobenzotriazol-2-yl)phenol?
The IUPAC name of 2-(5-aminobenzotriazol-2-yl)phenol (CID 13000701) is 2-(5-aminobenzotriazol-2-yl)phenol.
What is the SMILES notation for 2-(5-aminobenzotriazol-2-yl)phenol?
The canonical SMILES for 2-(5-aminobenzotriazol-2-yl)phenol is Nc1ccc2nn(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-(5-aminobenzotriazol-2-yl)phenol?
The InChIKey is BZDXWVOZGMYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-8-5-6-9-10(7-8)15-16(14-9)11-3-1-2-4-12(11)17/h1-7,17H,13H2.
What are the key properties of 2-(5-aminobenzotriazol-2-yl)phenol?
2-(5-aminobenzotriazol-2-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminobenzotriazol-2-yl)phenol is sourced from PubChem (CID 13000701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).