1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine

C16H16ClF3N4 — CID 15124730

IUPAC1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESFC(F)(F)c1cccc(NC2CCCN(c3ccc(Cl)nn3)C2)c1
InChIInChI=1S/C16H16ClF3N4/c17-14-6-7-15(23-22-14)24-8-2-5-13(10-24)21-12-4-1-3-11(9-12)16(18,19)20/h1,3-4,6-7,9,13,21H,2,5,8,10H2
InChIKeyJBQOOYFVJXLFGS-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.23
Rot. Bonds3

About 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine

1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine (PubChem CID 15124730) has the molecular formula C16H16ClF3N4 and a molecular weight of 356.78 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine
PubChem CID15124730
Molecular FormulaC16H16ClF3N4
Molecular Weight356.78 g/mol
Exact Mass356.10
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine
SMILESFC(F)(F)c1cccc(NC2CCCN(c3ccc(Cl)nn3)C2)c1
InChIInChI=1S/C16H16ClF3N4/c17-14-6-7-15(23-22-14)24-8-2-5-13(10-24)21-12-4-1-3-11(9-12)16(18,19)20/h1,3-4,6-7,9,13,21H,2,5,8,10H2
InChIKeyJBQOOYFVJXLFGS-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-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 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine (CID 15124730) is 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine is FC(F)(F)c1cccc(NC2CCCN(c3ccc(Cl)nn3)C2)c1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
The InChIKey is JBQOOYFVJXLFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4/c17-14-6-7-15(23-22-14)24-8-2-5-13(10-24)21-12-4-1-3-11(9-12)16(18,19)20/h1,3-4,6-7,9,13,21H,2,5,8,10H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine?
1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine has a molecular weight of 356.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 15124730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).