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

C11H16N4OS — CID 66268449

IUPAC2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2cccs2)nn1
InChIInChI=1S/C11H16N4OS/c16-6-5-15-9-10(13-14-15)8-12-4-3-11-2-1-7-17-11/h1-2,7,9,12,16H,3-6,8H2
InChIKeyDLJPDPQEKANZTA-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.66
Rot. Bonds7

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

2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66268449) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol
PubChem CID66268449
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2cccs2)nn1
InChIInChI=1S/C11H16N4OS/c16-6-5-15-9-10(13-14-15)8-12-4-3-11-2-1-7-17-11/h1-2,7,9,12,16H,3-6,8H2
InChIKeyDLJPDPQEKANZTA-UHFFFAOYSA-N
XLogP0.66
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol (CID 66268449) is 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol is OCCn1cc(CNCCc2cccs2)nn1.
What is the InChIKey of 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is DLJPDPQEKANZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-6-5-15-9-10(13-14-15)8-12-4-3-11-2-1-7-17-11/h1-2,7,9,12,16H,3-6,8H2.
What are the key properties of 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 252.34 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-thiophen-2-ylethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).