6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine

C24H21F6N3 — CID 22948760

IUPAC6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine
SMILESCN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C24H21F6N3/c1-33-10-8-15(9-11-33)21-14-20(16-4-2-6-18(12-16)23(25,26)27)22(32-31-21)17-5-3-7-19(13-17)24(28,29)30/h2-7,12-15H,8-11H2,1H3
InChIKeyOSARXRWSULZSQE-UHFFFAOYSA-N
MW465.44 g/mol
LogP6.66
Rot. Bonds3

About 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine

6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 22948760) has the molecular formula C24H21F6N3 and a molecular weight of 465.44 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID22948760
Molecular FormulaC24H21F6N3
Molecular Weight465.44 g/mol
Exact Mass465.16
IUPAC Name6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine
SMILESCN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nn2)CC1
InChIInChI=1S/C24H21F6N3/c1-33-10-8-15(9-11-33)21-14-20(16-4-2-6-18(12-16)23(25,26)27)22(32-31-21)17-5-3-7-19(13-17)24(28,29)30/h2-7,12-15H,8-11H2,1H3
InChIKeyOSARXRWSULZSQE-UHFFFAOYSA-N
XLogP6.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine (CID 22948760) is 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine is CN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nn2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is OSARXRWSULZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N3/c1-33-10-8-15(9-11-33)21-14-20(16-4-2-6-18(12-16)23(25,26)27)22(32-31-21)17-5-3-7-19(13-17)24(28,29)30/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine?
6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 465.44 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-3,4-bis[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 22948760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).