2-[3-(4-bromophenyl)triazol-4-yl]ethanol

C10H10BrN3O — CID 117167313

IUPAC2-[3-(4-bromophenyl)triazol-4-yl]ethanol
SMILESOCCc1cnnn1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3O/c11-8-1-3-9(4-2-8)14-10(5-6-15)7-12-13-14/h1-4,7,15H,5-6H2
InChIKeyWIYXFLJSWQUSMW-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.56
Rot. Bonds3

About 2-[3-(4-bromophenyl)triazol-4-yl]ethanol

2-[3-(4-bromophenyl)triazol-4-yl]ethanol (PubChem CID 117167313) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)triazol-4-yl]ethanol
PubChem CID117167313
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-[3-(4-bromophenyl)triazol-4-yl]ethanol
SMILESOCCc1cnnn1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3O/c11-8-1-3-9(4-2-8)14-10(5-6-15)7-12-13-14/h1-4,7,15H,5-6H2
InChIKeyWIYXFLJSWQUSMW-UHFFFAOYSA-N
XLogP1.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-bromophenyl)triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
3-[3-(4-bromophenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167426
2-[3-(2-methylphenyl)triazol-4-yl]ethanol
CID 117167047
[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
CID 167438888
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
ethyl 3-(4-bromophenyl)triazole-4-carboxylate
CID 71266147
4-[5-(4-bromophenyl)triazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 16652463
1-(3-phenyltriazol-4-yl)hexan-3-one
CID 114690267
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
[3-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82195618
5-(3-bromo-3-phenylpropyl)-1-phenyltriazole
CID 114690630
1-phenyl-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890245

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[3-(4-bromophenyl)triazol-4-yl]ethanol (CID 117167313) is 2-[3-(4-bromophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-(4-bromophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[3-(4-bromophenyl)triazol-4-yl]ethanol is OCCc1cnnn1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)triazol-4-yl]ethanol?
The InChIKey is WIYXFLJSWQUSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-1-3-9(4-2-8)14-10(5-6-15)7-12-13-14/h1-4,7,15H,5-6H2.
What are the key properties of 2-[3-(4-bromophenyl)triazol-4-yl]ethanol?
2-[3-(4-bromophenyl)triazol-4-yl]ethanol has a molecular weight of 268.11 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 117167313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).