1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol

C10H13N3OS — CID 81444853

IUPAC1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCc2ccsc2)nn1
InChIInChI=1S/C10H13N3OS/c1-8(14)10-6-13(12-11-10)4-2-9-3-5-15-7-9/h3,5-8,14H,2,4H2,1H3
InChIKeyRWRNECAFHMFYFR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.64
Rot. Bonds4

About 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol

1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol (PubChem CID 81444853) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol
PubChem CID81444853
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCc2ccsc2)nn1
InChIInChI=1S/C10H13N3OS/c1-8(14)10-6-13(12-11-10)4-2-9-3-5-15-7-9/h3,5-8,14H,2,4H2,1H3
InChIKeyRWRNECAFHMFYFR-UHFFFAOYSA-N
XLogP1.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol (CID 81444853) is 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol is CC(O)c1cn(CCc2ccsc2)nn1.
What is the InChIKey of 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol?
The InChIKey is RWRNECAFHMFYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8(14)10-6-13(12-11-10)4-2-9-3-5-15-7-9/h3,5-8,14H,2,4H2,1H3.
What are the key properties of 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol?
1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-3-ylethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).