3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile

C17H11F2N3 — CID 132580853

IUPAC3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile
SMILESN#CC1=C(c2ccc(F)cc2)NN=C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H11F2N3/c18-14-5-1-11(2-6-14)16-9-13(10-20)17(22-21-16)12-3-7-15(19)8-4-12/h1-8,22H,9H2
InChIKeyHUSLSSFZFIIWGS-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.60
Rot. Bonds2

About 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile

3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile (PubChem CID 132580853) has the molecular formula C17H11F2N3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile.

Molecular Properties

Compound Name3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile
PubChem CID132580853
Molecular FormulaC17H11F2N3
Molecular Weight295.29 g/mol
Exact Mass295.09
IUPAC Name3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile
SMILESN#CC1=C(c2ccc(F)cc2)NN=C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H11F2N3/c18-14-5-1-11(2-6-14)16-9-13(10-20)17(22-21-16)12-3-7-15(19)8-4-12/h1-8,22H,9H2
InChIKeyHUSLSSFZFIIWGS-UHFFFAOYSA-N
XLogP3.60
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile 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 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile?
The IUPAC name of 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile (CID 132580853) is 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile.
What is the SMILES notation for 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile?
The canonical SMILES for 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile is N#CC1=C(c2ccc(F)cc2)NN=C(c2ccc(F)cc2)C1.
What is the InChIKey of 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile?
The InChIKey is HUSLSSFZFIIWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3/c18-14-5-1-11(2-6-14)16-9-13(10-20)17(22-21-16)12-3-7-15(19)8-4-12/h1-8,22H,9H2.
What are the key properties of 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile?
3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile has a molecular weight of 295.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-fluorophenyl)-1,4-dihydropyridazine-5-carbonitrile is sourced from PubChem (CID 132580853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).