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

C9H13F3N4 — CID 83866057

IUPAC1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine
SMILESCC(N)C1CCc2nc(C(F)(F)F)nn2C1
InChIInChI=1S/C9H13F3N4/c1-5(13)6-2-3-7-14-8(9(10,11)12)15-16(7)4-6/h5-6H,2-4,13H2,1H3
InChIKeyPCGWHMGUPVTGTD-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.21
Rot. Bonds1

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

1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine (PubChem CID 83866057) 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-6-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine
PubChem CID83866057
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-6-yl]ethanamine
SMILESCC(N)C1CCc2nc(C(F)(F)F)nn2C1
InChIInChI=1S/C9H13F3N4/c1-5(13)6-2-3-7-14-8(9(10,11)12)15-16(7)4-6/h5-6H,2-4,13H2,1H3
InChIKeyPCGWHMGUPVTGTD-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]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 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine?
The IUPAC name of 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine (CID 83866057) is 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine?
The canonical SMILES for 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine is CC(N)C1CCc2nc(C(F)(F)F)nn2C1.
What is the InChIKey of 1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine?
The InChIKey is PCGWHMGUPVTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5(13)6-2-3-7-14-8(9(10,11)12)15-16(7)4-6/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-6-yl]ethanamine?
1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 1.21, 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-6-yl]ethanamine is sourced from PubChem (CID 83866057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).