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

C17H25F3N4 — CID 66878974

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN(c1ccc(C(F)(F)F)nn1)C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C17H25F3N4/c1-23(16-7-6-15(21-22-16)17(18,19)20)14-8-10-24(11-9-14)12-13-4-2-3-5-13/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyHYBDXBBZPZILLS-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.59
Rot. Bonds4

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

N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 66878974) has the molecular formula C17H25F3N4 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID66878974
Molecular FormulaC17H25F3N4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN(c1ccc(C(F)(F)F)nn1)C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C17H25F3N4/c1-23(16-7-6-15(21-22-16)17(18,19)20)14-8-10-24(11-9-14)12-13-4-2-3-5-13/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyHYBDXBBZPZILLS-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (CID 66878974) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is CN(c1ccc(C(F)(F)F)nn1)C1CCN(CC2CCCC2)CC1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is HYBDXBBZPZILLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4/c1-23(16-7-6-15(21-22-16)17(18,19)20)14-8-10-24(11-9-14)12-13-4-2-3-5-13/h6-7,13-14H,2-5,8-12H2,1H3.
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 342.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 66878974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).