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

C13H19F3N4 — CID 83965543

IUPAC2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CC(C(F)(F)F)Cn2nc(C3CCCCC3)nc21
InChIInChI=1S/C13H19F3N4/c14-13(15,16)9-6-10(17)12-18-11(19-20(12)7-9)8-4-2-1-3-5-8/h8-10H,1-7,17H2
InChIKeyQGRRPRBHYJSWLS-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.91
Rot. Bonds1

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

2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 83965543) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID83965543
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CC(C(F)(F)F)Cn2nc(C3CCCCC3)nc21
InChIInChI=1S/C13H19F3N4/c14-13(15,16)9-6-10(17)12-18-11(19-20(12)7-9)8-4-2-1-3-5-8/h8-10H,1-7,17H2
InChIKeyQGRRPRBHYJSWLS-UHFFFAOYSA-N
XLogP2.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine 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-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 83965543) is 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is NC1CC(C(F)(F)F)Cn2nc(C3CCCCC3)nc21.
What is the InChIKey of 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is QGRRPRBHYJSWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)9-6-10(17)12-18-11(19-20(12)7-9)8-4-2-1-3-5-8/h8-10H,1-7,17H2.
What are the key properties of 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 288.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 83965543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).