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

C11H13N3O — CID 71671583

IUPAC1-(1-benzyltriazol-4-yl)ethanol
SMILESCC(O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3
InChIKeyMRHOPRBQUJHPOX-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.38
Rot. Bonds3

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

1-(1-benzyltriazol-4-yl)ethanol (PubChem CID 71671583) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(1-benzyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzyltriazol-4-yl)ethanol
PubChem CID71671583
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(1-benzyltriazol-4-yl)ethanol
SMILESCC(O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3
InChIKeyMRHOPRBQUJHPOX-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-benzyltriazol-4-yl)ethanol (CID 71671583) is 1-(1-benzyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-benzyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-benzyltriazol-4-yl)ethanol is CC(O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-(1-benzyltriazol-4-yl)ethanol?
The InChIKey is MRHOPRBQUJHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3.
What are the key properties of 1-(1-benzyltriazol-4-yl)ethanol?
1-(1-benzyltriazol-4-yl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltriazol-4-yl)ethanol is sourced from PubChem (CID 71671583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).