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

C17H25F3N4 — CID 91048452

IUPACN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCC2CCN(CC3CCCC3)CC2)nn1
InChIInChI=1S/C17H25F3N4/c18-17(19,20)15-5-6-16(23-22-15)21-11-13-7-9-24(10-8-13)12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,21,23)
InChIKeyOLMSZPDHTQWJEK-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.81
Rot. Bonds5

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

N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 91048452) has the molecular formula C17H25F3N4 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID91048452
Molecular FormulaC17H25F3N4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC NameN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCC2CCN(CC3CCCC3)CC2)nn1
InChIInChI=1S/C17H25F3N4/c18-17(19,20)15-5-6-16(23-22-15)21-11-13-7-9-24(10-8-13)12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,21,23)
InChIKeyOLMSZPDHTQWJEK-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 91048452) is N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCC2CCN(CC3CCCC3)CC2)nn1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is OLMSZPDHTQWJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4/c18-17(19,20)15-5-6-16(23-22-15)21-11-13-7-9-24(10-8-13)12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-12H2,(H,21,23).
What are the key properties of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 342.41 g/mol, XLogP of 3.81, 5 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]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 91048452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).