2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol

C11H16N4OS — CID 66270017

IUPAC2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol
SMILESCC(NCc1cn(CCO)nn1)c1ccsc1
InChIInChI=1S/C11H16N4OS/c1-9(10-2-5-17-8-10)12-6-11-7-15(3-4-16)14-13-11/h2,5,7-9,12,16H,3-4,6H2,1H3
InChIKeyLQJYNGVQBAKKSD-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.18
Rot. Bonds6

About 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol

2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66270017) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol
PubChem CID66270017
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol
SMILESCC(NCc1cn(CCO)nn1)c1ccsc1
InChIInChI=1S/C11H16N4OS/c1-9(10-2-5-17-8-10)12-6-11-7-15(3-4-16)14-13-11/h2,5,7-9,12,16H,3-4,6H2,1H3
InChIKeyLQJYNGVQBAKKSD-UHFFFAOYSA-N
XLogP1.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol (CID 66270017) is 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol is CC(NCc1cn(CCO)nn1)c1ccsc1.
What is the InChIKey of 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is LQJYNGVQBAKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-9(10-2-5-17-8-10)12-6-11-7-15(3-4-16)14-13-11/h2,5,7-9,12,16H,3-4,6H2,1H3.
What are the key properties of 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 252.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-thiophen-3-ylethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).