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

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Related Compounds

1-(Perfluorophenyl)-2-(1-phenylethylidene) hydrazine
CID 297542
2-(2-fluorophenyl)-2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]acetonitrile
CID 135042866
1-(1,2-Diphenylethylidene)-2-((perfluorophenyl)methyl)hydrazine
CID 137796855
(6R)-3,6-bis(3-fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 139167712
2,3,4,5,6-pentafluoro-N-[(E)-1-phenylethylideneamino]aniline
CID 9554633
2,6-Bis(4-fluorophenyl)-4-propan-2-yl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 57067449
3-fluoro-5-(6-methylidene-1H-pyridazin-3-yl)benzonitrile
CID 59484852
5-(2-(Diphenylmethylene)hydrazinyl)-2-fluorobenzonitrile
CID 86624320
4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine
CID 88987139
4-(4-Ethylphenyl)-1-[4-(trifluoromethyl)phenyl]-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine
CID 129266832
3-(2,5-Difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
CID 141130432
(5S)-3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
CID 141130433

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).