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

C9H11N3OS — CID 63773551

IUPAC[1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol
SMILESOCc1cn(CCc2cccs2)nn1
InChIInChI=1S/C9H11N3OS/c13-7-8-6-12(11-10-8)4-3-9-2-1-5-14-9/h1-2,5-6,13H,3-4,7H2
InChIKeyNZNFFXJHOQAFFW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.07
Rot. Bonds4

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

[1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol (PubChem CID 63773551) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol
PubChem CID63773551
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol
SMILESOCc1cn(CCc2cccs2)nn1
InChIInChI=1S/C9H11N3OS/c13-7-8-6-12(11-10-8)4-3-9-2-1-5-14-9/h1-2,5-6,13H,3-4,7H2
InChIKeyNZNFFXJHOQAFFW-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(Z)-2-thiophen-2-ylethenyl]triazol-1-yl]butan-1-ol
CID 168295925
[1-[5-(Trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol
CID 130302372
1-[2,2'-Bithiophen]-4-yl-1H-1,2,3-triazole-4-methanol
CID 62705427
[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 55066799
[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 62400373
1-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 81443814
1-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 81443938
1-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]propan-1-ol
CID 116169797
1-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]propan-1-ol
CID 116169811
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(1-{1-[(2,5-dimethyl-3-thienyl)sulfonyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)methanol
CID 31191778
{1-[(5-chlorothiophen-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62401464

Frequently Asked Questions

What is the IUPAC name of [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol (CID 63773551) is [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol is OCc1cn(CCc2cccs2)nn1.
What is the InChIKey of [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol?
The InChIKey is NZNFFXJHOQAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-7-8-6-12(11-10-8)4-3-9-2-1-5-14-9/h1-2,5-6,13H,3-4,7H2.
What are the key properties of [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol?
[1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol has a molecular weight of 209.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-thiophen-2-ylethyl)triazol-4-yl]methanol is sourced from PubChem (CID 63773551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).