2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine

C10H11F3N4O — CID 79457043

IUPAC2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
SMILESNCCOCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-1-2-8-15-16-9(17(8)5-7)6-18-4-3-14/h1-2,5H,3-4,6,14H2
InChIKeyLINMJKICWLJQGQ-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.22
Rot. Bonds4

About 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine

2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine (PubChem CID 79457043) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
PubChem CID79457043
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine
SMILESNCCOCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-1-2-8-15-16-9(17(8)5-7)6-18-4-3-14/h1-2,5H,3-4,6,14H2
InChIKeyLINMJKICWLJQGQ-UHFFFAOYSA-N
XLogP1.22
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
The IUPAC name of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine (CID 79457043) is 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine is NCCOCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
The InChIKey is LINMJKICWLJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-1-2-8-15-16-9(17(8)5-7)6-18-4-3-14/h1-2,5H,3-4,6,14H2.
What are the key properties of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine?
2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine has a molecular weight of 260.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]ethanamine is sourced from PubChem (CID 79457043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).