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

C9H11N3OS — CID 62399436

IUPAC2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2cccs2)nn1
InChIInChI=1S/C9H11N3OS/c13-4-3-8-6-12(11-10-8)7-9-2-1-5-14-9/h1-2,5-6,13H,3-4,7H2
InChIKeyNVXIAFDHVJJQOO-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.92
Rot. Bonds4

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

2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol (PubChem CID 62399436) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol
PubChem CID62399436
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2cccs2)nn1
InChIInChI=1S/C9H11N3OS/c13-4-3-8-6-12(11-10-8)7-9-2-1-5-14-9/h1-2,5-6,13H,3-4,7H2
InChIKeyNVXIAFDHVJJQOO-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-2-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol (CID 62399436) is 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol is OCCc1cn(Cc2cccs2)nn1.
What is the InChIKey of 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is NVXIAFDHVJJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-4-3-8-6-12(11-10-8)7-9-2-1-5-14-9/h1-2,5-6,13H,3-4,7H2.
What are the key properties of 2-[1-(thiophen-2-ylmethyl)triazol-4-yl]ethanol?
2-[1-(thiophen-2-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-2-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62399436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).