2-(3-phenyltriazol-4-yl)ethanol

C10H11N3O — CID 24754561

IUPAC2-(3-phenyltriazol-4-yl)ethanol
SMILESOCCc1cnnn1-c1ccccc1
InChIInChI=1S/C10H11N3O/c14-7-6-10-8-11-12-13(10)9-4-2-1-3-5-9/h1-5,8,14H,6-7H2
InChIKeyUTCACNCWFRSGEJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.80
Rot. Bonds3

About 2-(3-phenyltriazol-4-yl)ethanol

2-(3-phenyltriazol-4-yl)ethanol (PubChem CID 24754561) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-phenyltriazol-4-yl)ethanol
PubChem CID24754561
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(3-phenyltriazol-4-yl)ethanol
SMILESOCCc1cnnn1-c1ccccc1
InChIInChI=1S/C10H11N3O/c14-7-6-10-8-11-12-13(10)9-4-2-1-3-5-9/h1-5,8,14H,6-7H2
InChIKeyUTCACNCWFRSGEJ-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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Related Compounds

2-[3-(4-bromophenyl)triazol-4-yl]ethanol
CID 117167313
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
1-phenyl-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890245
2-[3-(2-methylphenyl)triazol-4-yl]ethanol
CID 117167047
1-(3-phenyltriazol-4-yl)pentan-3-ol
CID 114690535
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
1-(3-phenyltriazol-4-yl)hexan-3-one
CID 114690267
5-(3-bromo-3-phenylpropyl)-1-phenyltriazole
CID 114690630
2-(3-phenyltriazol-4-yl)acetaldehyde
CID 114690061
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
5-(3-bromo-4,4-dimethylpentyl)-1-phenyltriazole
CID 114690627
N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine
CID 114690353

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(3-phenyltriazol-4-yl)ethanol (CID 24754561) is 2-(3-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(3-phenyltriazol-4-yl)ethanol is OCCc1cnnn1-c1ccccc1.
What is the InChIKey of 2-(3-phenyltriazol-4-yl)ethanol?
The InChIKey is UTCACNCWFRSGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-7-6-10-8-11-12-13(10)9-4-2-1-3-5-9/h1-5,8,14H,6-7H2.
What are the key properties of 2-(3-phenyltriazol-4-yl)ethanol?
2-(3-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-(3-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 24754561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).