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

C22H21F3N4 — CID 140539776

IUPAC6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESFC(F)(F)c1cccc(Nc2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)17-5-4-6-18(15-17)26-21-12-11-20(27-28-21)16-7-9-19(10-8-16)29-13-2-1-3-14-29/h4-12,15H,1-3,13-14H2,(H,26,28)
InChIKeyCDBMBSFBCVPJHZ-UHFFFAOYSA-N
MW398.43 g/mol
LogP5.90
Rot. Bonds4

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

6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 140539776) has the molecular formula C22H21F3N4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID140539776
Molecular FormulaC22H21F3N4
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESFC(F)(F)c1cccc(Nc2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)17-5-4-6-18(15-17)26-21-12-11-20(27-28-21)16-7-9-19(10-8-16)29-13-2-1-3-14-29/h4-12,15H,1-3,13-14H2,(H,26,28)
InChIKeyCDBMBSFBCVPJHZ-UHFFFAOYSA-N
XLogP5.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 140539776) is 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is FC(F)(F)c1cccc(Nc2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c1.
What is the InChIKey of 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is CDBMBSFBCVPJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4/c23-22(24,25)17-5-4-6-18(15-17)26-21-12-11-20(27-28-21)16-7-9-19(10-8-16)29-13-2-1-3-14-29/h4-12,15H,1-3,13-14H2,(H,26,28).
What are the key properties of 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 398.43 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperidin-1-ylphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 140539776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).