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

C9H11N3OS — CID 130567429

IUPAC(1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H11N3OS/c1-7(13)9-5-12(11-10-9)4-8-2-3-14-6-8/h2-3,5-7,13H,4H2,1H3/t7-/m0/s1
InChIKeyZQXKFGLRVDYASX-ZETCQYMHSA-N
MW209.27 g/mol
LogP1.44
Rot. Bonds3

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

(1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol (PubChem CID 130567429) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
PubChem CID130567429
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(Cc2ccsc2)nn1
InChIInChI=1S/C9H11N3OS/c1-7(13)9-5-12(11-10-9)4-8-2-3-14-6-8/h2-3,5-7,13H,4H2,1H3/t7-/m0/s1
InChIKeyZQXKFGLRVDYASX-ZETCQYMHSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol (CID 130567429) is (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol is C[C@H](O)c1cn(Cc2ccsc2)nn1.
What is the InChIKey of (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is ZQXKFGLRVDYASX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-7(13)9-5-12(11-10-9)4-8-2-3-14-6-8/h2-3,5-7,13H,4H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol?
(1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 209.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 130567429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).