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2-(4-methyl-5-phenyltriazol-1-yl)ethanol

C11H13N3O — CID 18726601

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methyl-5-phenyltriazol-1-yl)ethanol
SMILESCc1nnn(CCO)c1-c1ccccc1
InChIInChI=1S/C11H13N3O/c1-9-11(10-5-3-2-4-6-10)14(7-8-15)13-12-9/h2-6,15H,7-8H2,1H3
InChIKeyYEWTWWRODYHHTG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.25
Rot. Bonds3

About 2-(4-methyl-5-phenyltriazol-1-yl)ethanol

2-(4-methyl-5-phenyltriazol-1-yl)ethanol (PubChem CID 18726601) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(4-methyl-5-phenyltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-5-phenyltriazol-1-yl)ethanol
PubChem CID18726601
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(4-methyl-5-phenyltriazol-1-yl)ethanol
SMILESCc1nnn(CCO)c1-c1ccccc1
InChIInChI=1S/C11H13N3O/c1-9-11(10-5-3-2-4-6-10)14(7-8-15)13-12-9/h2-6,15H,7-8H2,1H3
InChIKeyYEWTWWRODYHHTG-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-phenyltriazol-1-yl)ethanol?
The IUPAC name of 2-(4-methyl-5-phenyltriazol-1-yl)ethanol (CID 18726601) is 2-(4-methyl-5-phenyltriazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-5-phenyltriazol-1-yl)ethanol?
The canonical SMILES for 2-(4-methyl-5-phenyltriazol-1-yl)ethanol is Cc1nnn(CCO)c1-c1ccccc1.
What is the InChIKey of 2-(4-methyl-5-phenyltriazol-1-yl)ethanol?
The InChIKey is YEWTWWRODYHHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-11(10-5-3-2-4-6-10)14(7-8-15)13-12-9/h2-6,15H,7-8H2,1H3.
What are the key properties of 2-(4-methyl-5-phenyltriazol-1-yl)ethanol?
2-(4-methyl-5-phenyltriazol-1-yl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-phenyltriazol-1-yl)ethanol is sourced from PubChem (CID 18726601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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