2-(benzotriazol-2-yl)ethanol

C8H9N3O — CID 817804

IUPAC2-(benzotriazol-2-yl)ethanol
SMILESOCCn1nc2ccccc2n1
InChIInChI=1S/C8H9N3O/c12-6-5-11-9-7-3-1-2-4-8(7)10-11/h1-4,12H,5-6H2
InChIKeyOKLYJLYNSWYFRS-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.42
Rot. Bonds2

About 2-(benzotriazol-2-yl)ethanol

2-(benzotriazol-2-yl)ethanol (PubChem CID 817804) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)ethanol
PubChem CID817804
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(benzotriazol-2-yl)ethanol
SMILESOCCn1nc2ccccc2n1
InChIInChI=1S/C8H9N3O/c12-6-5-11-9-7-3-1-2-4-8(7)10-11/h1-4,12H,5-6H2
InChIKeyOKLYJLYNSWYFRS-UHFFFAOYSA-N
XLogP0.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)ethanol?
The IUPAC name of 2-(benzotriazol-2-yl)ethanol (CID 817804) is 2-(benzotriazol-2-yl)ethanol.
What is the SMILES notation for 2-(benzotriazol-2-yl)ethanol?
The canonical SMILES for 2-(benzotriazol-2-yl)ethanol is OCCn1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)ethanol?
The InChIKey is OKLYJLYNSWYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c12-6-5-11-9-7-3-1-2-4-8(7)10-11/h1-4,12H,5-6H2.
What are the key properties of 2-(benzotriazol-2-yl)ethanol?
2-(benzotriazol-2-yl)ethanol has a molecular weight of 163.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)ethanol is sourced from PubChem (CID 817804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).