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

C12H19N5S — CID 106012253

IUPAC2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
SMILESCCc1ccc(CNCc2cn(CCN)nn2)s1
InChIInChI=1S/C12H19N5S/c1-2-11-3-4-12(18-11)8-14-7-10-9-17(6-5-13)16-15-10/h3-4,9,14H,2,5-8,13H2,1H3
InChIKeyXOKWCRIRNUPUHI-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.15
Rot. Bonds7

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

2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine (PubChem CID 106012253) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
PubChem CID106012253
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
SMILESCCc1ccc(CNCc2cn(CCN)nn2)s1
InChIInChI=1S/C12H19N5S/c1-2-11-3-4-12(18-11)8-14-7-10-9-17(6-5-13)16-15-10/h3-4,9,14H,2,5-8,13H2,1H3
InChIKeyXOKWCRIRNUPUHI-UHFFFAOYSA-N
XLogP1.15
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine (CID 106012253) is 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine is CCc1ccc(CNCc2cn(CCN)nn2)s1.
What is the InChIKey of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
The InChIKey is XOKWCRIRNUPUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-2-11-3-4-12(18-11)8-14-7-10-9-17(6-5-13)16-15-10/h3-4,9,14H,2,5-8,13H2,1H3.
What are the key properties of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine has a molecular weight of 265.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine is sourced from PubChem (CID 106012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).