1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole

C10H9N5O — CID 14990938

IUPAC1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole
SMILESOn1nnc2cc(Cn3ccnc3)ccc21
InChIInChI=1S/C10H9N5O/c16-15-10-2-1-8(5-9(10)12-13-15)6-14-4-3-11-7-14/h1-5,7,16H,6H2
InChIKeyLUJILUFQXJIZNO-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.91
Rot. Bonds2

About 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole

1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole (PubChem CID 14990938) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole
PubChem CID14990938
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole
SMILESOn1nnc2cc(Cn3ccnc3)ccc21
InChIInChI=1S/C10H9N5O/c16-15-10-2-1-8(5-9(10)12-13-15)6-14-4-3-11-7-14/h1-5,7,16H,6H2
InChIKeyLUJILUFQXJIZNO-UHFFFAOYSA-N
XLogP0.91
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole?
The IUPAC name of 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole (CID 14990938) is 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole.
What is the SMILES notation for 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole?
The canonical SMILES for 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole is On1nnc2cc(Cn3ccnc3)ccc21.
What is the InChIKey of 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole?
The InChIKey is LUJILUFQXJIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c16-15-10-2-1-8(5-9(10)12-13-15)6-14-4-3-11-7-14/h1-5,7,16H,6H2.
What are the key properties of 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole?
1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole has a molecular weight of 215.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-(imidazol-1-ylmethyl)benzotriazole is sourced from PubChem (CID 14990938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).