[1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol

C11H9N3OS2 — CID 62705427

IUPAC[1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2csc(-c3cccs3)c2)nn1
InChIInChI=1S/C11H9N3OS2/c15-6-8-5-14(13-12-8)9-4-11(17-7-9)10-2-1-3-16-10/h1-5,7,15H,6H2
InChIKeyHMBRCBSTTICIEL-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.55
Rot. Bonds3

About [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol

[1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol (PubChem CID 62705427) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol
PubChem CID62705427
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name[1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2csc(-c3cccs3)c2)nn1
InChIInChI=1S/C11H9N3OS2/c15-6-8-5-14(13-12-8)9-4-11(17-7-9)10-2-1-3-16-10/h1-5,7,15H,6H2
InChIKeyHMBRCBSTTICIEL-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol (CID 62705427) is [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol is OCc1cn(-c2csc(-c3cccs3)c2)nn1.
What is the InChIKey of [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol?
The InChIKey is HMBRCBSTTICIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c15-6-8-5-14(13-12-8)9-4-11(17-7-9)10-2-1-3-16-10/h1-5,7,15H,6H2.
What are the key properties of [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol?
[1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol has a molecular weight of 263.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-thiophen-2-ylthiophen-3-yl)triazol-4-yl]methanol is sourced from PubChem (CID 62705427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).