2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol

C11H15N3OS — CID 62399620

IUPAC2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
SMILESCCc1ccc(Cn2cc(CCO)nn2)s1
InChIInChI=1S/C11H15N3OS/c1-2-10-3-4-11(16-10)8-14-7-9(5-6-15)12-13-14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeySLUVBLYBGQHSNQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.49
Rot. Bonds5

About 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol

2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 62399620) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID62399620
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
SMILESCCc1ccc(Cn2cc(CCO)nn2)s1
InChIInChI=1S/C11H15N3OS/c1-2-10-3-4-11(16-10)8-14-7-9(5-6-15)12-13-14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeySLUVBLYBGQHSNQ-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol (CID 62399620) is 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol is CCc1ccc(Cn2cc(CCO)nn2)s1.
What is the InChIKey of 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is SLUVBLYBGQHSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-10-3-4-11(16-10)8-14-7-9(5-6-15)12-13-14/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62399620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).