N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

C16H23F3N4 — CID 69276530

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCN(CC3CCCC3)CC2)nn1
InChIInChI=1S/C16H23F3N4/c17-16(18,19)14-5-6-15(22-21-14)20-13-7-9-23(10-8-13)11-12-3-1-2-4-12/h5-6,12-13H,1-4,7-11H2,(H,20,22)
InChIKeyAYBABOZNAIBFBC-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 69276530) has the molecular formula C16H23F3N4 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID69276530
Molecular FormulaC16H23F3N4
Molecular Weight328.38 g/mol
Exact Mass328.19
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCN(CC3CCCC3)CC2)nn1
InChIInChI=1S/C16H23F3N4/c17-16(18,19)14-5-6-15(22-21-14)20-13-7-9-23(10-8-13)11-12-3-1-2-4-12/h5-6,12-13H,1-4,7-11H2,(H,20,22)
InChIKeyAYBABOZNAIBFBC-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-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 N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 69276530) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NC2CCN(CC3CCCC3)CC2)nn1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is AYBABOZNAIBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4/c17-16(18,19)14-5-6-15(22-21-14)20-13-7-9-23(10-8-13)11-12-3-1-2-4-12/h5-6,12-13H,1-4,7-11H2,(H,20,22).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 328.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 69276530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).