1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol

C12H11N3OS — CID 81443891

IUPAC1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C12H11N3OS/c1-8(16)11-7-15(14-13-11)10-2-3-12-9(6-10)4-5-17-12/h2-8,16H,1H3
InChIKeyJRKZTWJMUXLZES-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.54
Rot. Bonds2

About 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol

1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol (PubChem CID 81443891) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol
PubChem CID81443891
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C12H11N3OS/c1-8(16)11-7-15(14-13-11)10-2-3-12-9(6-10)4-5-17-12/h2-8,16H,1H3
InChIKeyJRKZTWJMUXLZES-UHFFFAOYSA-N
XLogP2.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1-benzothiophen-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol (CID 81443891) is 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol is CC(O)c1cn(-c2ccc3sccc3c2)nn1.
What is the InChIKey of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol?
The InChIKey is JRKZTWJMUXLZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8(16)11-7-15(14-13-11)10-2-3-12-9(6-10)4-5-17-12/h2-8,16H,1H3.
What are the key properties of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol?
1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol has a molecular weight of 245.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanol is sourced from PubChem (CID 81443891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).