1-hydroxybenzotriazole;1-hydroxypyridin-2-one

C11H10N4O3 — CID 70183009

IUPAC1-hydroxybenzotriazole;1-hydroxypyridin-2-one
SMILESO=c1ccccn1O.On1nnc2ccccc21
InChIInChI=1S/C6H5N3O.C5H5NO2/c10-9-6-4-2-1-3-5(6)7-8-9;7-5-3-1-2-4-6(5)8/h1-4,10H;1-4,8H
InChIKeyYPUKVOIDSIYPAS-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.75
Rot. Bonds

About 1-hydroxybenzotriazole;1-hydroxypyridin-2-one

1-hydroxybenzotriazole;1-hydroxypyridin-2-one (PubChem CID 70183009) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-hydroxybenzotriazole;1-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-hydroxybenzotriazole;1-hydroxypyridin-2-one
PubChem CID70183009
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name1-hydroxybenzotriazole;1-hydroxypyridin-2-one
SMILESO=c1ccccn1O.On1nnc2ccccc21
InChIInChI=1S/C6H5N3O.C5H5NO2/c10-9-6-4-2-1-3-5(6)7-8-9;7-5-3-1-2-4-6(5)8/h1-4,10H;1-4,8H
InChIKeyYPUKVOIDSIYPAS-UHFFFAOYSA-N
XLogP0.75
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-hydroxybenzotriazole;1-hydroxypyridin-2-one?
The IUPAC name of 1-hydroxybenzotriazole;1-hydroxypyridin-2-one (CID 70183009) is 1-hydroxybenzotriazole;1-hydroxypyridin-2-one.
What is the SMILES notation for 1-hydroxybenzotriazole;1-hydroxypyridin-2-one?
The canonical SMILES for 1-hydroxybenzotriazole;1-hydroxypyridin-2-one is O=c1ccccn1O.On1nnc2ccccc21.
What is the InChIKey of 1-hydroxybenzotriazole;1-hydroxypyridin-2-one?
The InChIKey is YPUKVOIDSIYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.C5H5NO2/c10-9-6-4-2-1-3-5(6)7-8-9;7-5-3-1-2-4-6(5)8/h1-4,10H;1-4,8H.
What are the key properties of 1-hydroxybenzotriazole;1-hydroxypyridin-2-one?
1-hydroxybenzotriazole;1-hydroxypyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzotriazole;1-hydroxypyridin-2-one is sourced from PubChem (CID 70183009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).