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

C10H11N3O — CID 62400146

IUPAC2-(1-phenyltriazol-4-yl)ethanol
SMILESOCCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3O/c14-7-6-9-8-13(12-11-9)10-4-2-1-3-5-10/h1-5,8,14H,6-7H2
InChIKeyFRUJFIHTAAVVJO-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.80
Rot. Bonds3

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

2-(1-phenyltriazol-4-yl)ethanol (PubChem CID 62400146) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(1-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-phenyltriazol-4-yl)ethanol
PubChem CID62400146
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(1-phenyltriazol-4-yl)ethanol
SMILESOCCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3O/c14-7-6-9-8-13(12-11-9)10-4-2-1-3-5-10/h1-5,8,14H,6-7H2
InChIKeyFRUJFIHTAAVVJO-UHFFFAOYSA-N
XLogP0.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(1-phenyltriazol-4-yl)ethanol (CID 62400146) is 2-(1-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(1-phenyltriazol-4-yl)ethanol is OCCc1cn(-c2ccccc2)nn1.
What is the InChIKey of 2-(1-phenyltriazol-4-yl)ethanol?
The InChIKey is FRUJFIHTAAVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-7-6-9-8-13(12-11-9)10-4-2-1-3-5-10/h1-5,8,14H,6-7H2.
What are the key properties of 2-(1-phenyltriazol-4-yl)ethanol?
2-(1-phenyltriazol-4-yl)ethanol has a molecular weight of 189.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 62400146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).