1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine

C9H13F3N4 — CID 83865971

IUPAC1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine
SMILESCC(N)C1CCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C9H13F3N4/c1-5(13)6-3-2-4-16-7(6)14-8(15-16)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyFGVFEUREPUMRKY-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.52
Rot. Bonds1

About 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine

1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine (PubChem CID 83865971) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine
PubChem CID83865971
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine
SMILESCC(N)C1CCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C9H13F3N4/c1-5(13)6-3-2-4-16-7(6)14-8(15-16)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyFGVFEUREPUMRKY-UHFFFAOYSA-N
XLogP1.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine?
The IUPAC name of 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine (CID 83865971) is 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine?
The canonical SMILES for 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine is CC(N)C1CCCn2nc(C(F)(F)F)nc21.
What is the InChIKey of 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine?
The InChIKey is FGVFEUREPUMRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5(13)6-3-2-4-16-7(6)14-8(15-16)9(10,11)12/h5-6H,2-4,13H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine?
1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanamine is sourced from PubChem (CID 83865971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).