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

C19H20F6N4 — CID 91045061

IUPAC6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
SMILESFC(F)(F)c1cccc(CN2CCC(CNc3ccc(C(F)(F)F)nn3)CC2)c1
InChIInChI=1S/C19H20F6N4/c20-18(21,22)15-3-1-2-14(10-15)12-29-8-6-13(7-9-29)11-26-17-5-4-16(27-28-17)19(23,24)25/h1-5,10,13H,6-9,11-12H2,(H,26,28)
InChIKeyRHEQCVYLTTZKQF-UHFFFAOYSA-N
MW418.39 g/mol
LogP4.84
Rot. Bonds5

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

6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine (PubChem CID 91045061) has the molecular formula C19H20F6N4 and a molecular weight of 418.39 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
PubChem CID91045061
Molecular FormulaC19H20F6N4
Molecular Weight418.39 g/mol
Exact Mass418.16
IUPAC Name6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
SMILESFC(F)(F)c1cccc(CN2CCC(CNc3ccc(C(F)(F)F)nn3)CC2)c1
InChIInChI=1S/C19H20F6N4/c20-18(21,22)15-3-1-2-14(10-15)12-29-8-6-13(7-9-29)11-26-17-5-4-16(27-28-17)19(23,24)25/h1-5,10,13H,6-9,11-12H2,(H,26,28)
InChIKeyRHEQCVYLTTZKQF-UHFFFAOYSA-N
XLogP4.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91538789
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
N-(6-cyanopyridazin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 174579235
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
CID 90802730

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine (CID 91045061) is 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine is FC(F)(F)c1cccc(CN2CCC(CNc3ccc(C(F)(F)F)nn3)CC2)c1.
What is the InChIKey of 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The InChIKey is RHEQCVYLTTZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N4/c20-18(21,22)15-3-1-2-14(10-15)12-29-8-6-13(7-9-29)11-26-17-5-4-16(27-28-17)19(23,24)25/h1-5,10,13H,6-9,11-12H2,(H,26,28).
What are the key properties of 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine has a molecular weight of 418.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 91045061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).