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

C9H11N3OS — CID 62401722

IUPAC2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H11N3OS/c13-3-1-9-6-12(11-10-9)5-8-2-4-14-7-8/h2,4,6-7,13H,1,3,5H2
InChIKeyPMLRGQTUQFDDJE-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.92
Rot. Bonds4

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

2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol (PubChem CID 62401722) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
PubChem CID62401722
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H11N3OS/c13-3-1-9-6-12(11-10-9)5-8-2-4-14-7-8/h2,4,6-7,13H,1,3,5H2
InChIKeyPMLRGQTUQFDDJE-UHFFFAOYSA-N
XLogP0.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol (CID 62401722) is 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol is OCCc1cn(Cc2ccsc2)nn1.
What is the InChIKey of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is PMLRGQTUQFDDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-3-1-9-6-12(11-10-9)5-8-2-4-14-7-8/h2,4,6-7,13H,1,3,5H2.
What are the key properties of 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 209.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62401722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).