2-(1-benzyltriazol-4-yl)ethanol

C11H13N3O — CID 62400567

IUPAC2-(1-benzyltriazol-4-yl)ethanol
SMILESOCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c15-7-6-11-9-14(13-12-11)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2
InChIKeyYMXLHCXFZNVGQL-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.86
Rot. Bonds4

About 2-(1-benzyltriazol-4-yl)ethanol

2-(1-benzyltriazol-4-yl)ethanol (PubChem CID 62400567) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(1-benzyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzyltriazol-4-yl)ethanol
PubChem CID62400567
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(1-benzyltriazol-4-yl)ethanol
SMILESOCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c15-7-6-11-9-14(13-12-11)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2
InChIKeyYMXLHCXFZNVGQL-UHFFFAOYSA-N
XLogP0.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltriazol-4-yl)ethanol?
The IUPAC name of 2-(1-benzyltriazol-4-yl)ethanol (CID 62400567) is 2-(1-benzyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-benzyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(1-benzyltriazol-4-yl)ethanol is OCCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 2-(1-benzyltriazol-4-yl)ethanol?
The InChIKey is YMXLHCXFZNVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-7-6-11-9-14(13-12-11)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2.
What are the key properties of 2-(1-benzyltriazol-4-yl)ethanol?
2-(1-benzyltriazol-4-yl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltriazol-4-yl)ethanol is sourced from PubChem (CID 62400567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).