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

C9H13F3N4 — CID 83966872

IUPAC2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2n(n1)CCCC2C(F)(F)F
InChIInChI=1S/C9H13F3N4/c10-9(11,12)6-2-1-5-16-8(6)14-7(15-16)3-4-13/h6H,1-5,13H2
InChIKeyNKCYAHGPWJHPQH-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.22
Rot. Bonds2

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

2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine (PubChem CID 83966872) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine
PubChem CID83966872
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2n(n1)CCCC2C(F)(F)F
InChIInChI=1S/C9H13F3N4/c10-9(11,12)6-2-1-5-16-8(6)14-7(15-16)3-4-13/h6H,1-5,13H2
InChIKeyNKCYAHGPWJHPQH-UHFFFAOYSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-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 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine (CID 83966872) is 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine is NCCc1nc2n(n1)CCCC2C(F)(F)F.
What is the InChIKey of 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
The InChIKey is NKCYAHGPWJHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)6-2-1-5-16-8(6)14-7(15-16)3-4-13/h6H,1-5,13H2.
What are the key properties of 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 83966872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).