4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine

C18H23FN2 — CID 121384506

IUPAC4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine
SMILESCC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H23FN2/c1-17(2,3)14-11-15(18(4,5)6)20-21-16(14)12-7-9-13(19)10-8-12/h7-11H,1-6H3
InChIKeyPQZKYYHJSRRXQD-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.88
Rot. Bonds1

About 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine

4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine (PubChem CID 121384506) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine.

Molecular Properties

Compound Name4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine
PubChem CID121384506
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine
SMILESCC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(F)cc2)nn1
InChIInChI=1S/C18H23FN2/c1-17(2,3)14-11-15(18(4,5)6)20-21-16(14)12-7-9-13(19)10-8-12/h7-11H,1-6H3
InChIKeyPQZKYYHJSRRXQD-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine?
The IUPAC name of 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine (CID 121384506) is 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine.
What is the SMILES notation for 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine?
The canonical SMILES for 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine is CC(C)(C)c1cc(C(C)(C)C)c(-c2ccc(F)cc2)nn1.
What is the InChIKey of 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine?
The InChIKey is PQZKYYHJSRRXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-17(2,3)14-11-15(18(4,5)6)20-21-16(14)12-7-9-13(19)10-8-12/h7-11H,1-6H3.
What are the key properties of 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine?
4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine has a molecular weight of 286.39 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-3-(4-fluorophenyl)pyridazine is sourced from PubChem (CID 121384506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).