3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile

C21H19FN4 — CID 139323938

IUPAC3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile
SMILESCc1cc(-c2cccc(C#N)c2)nnc1NCC(C)c1ccc(F)cc1
InChIInChI=1S/C21H19FN4/c1-14-10-20(18-5-3-4-16(11-18)12-23)25-26-21(14)24-13-15(2)17-6-8-19(22)9-7-17/h3-11,15H,13H2,1-2H3,(H,24,26)
InChIKeyZTEOBAIXUSJSRV-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.68
Rot. Bonds5

About 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile

3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile (PubChem CID 139323938) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile
PubChem CID139323938
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile
SMILESCc1cc(-c2cccc(C#N)c2)nnc1NCC(C)c1ccc(F)cc1
InChIInChI=1S/C21H19FN4/c1-14-10-20(18-5-3-4-16(11-18)12-23)25-26-21(14)24-13-15(2)17-6-8-19(22)9-7-17/h3-11,15H,13H2,1-2H3,(H,24,26)
InChIKeyZTEOBAIXUSJSRV-UHFFFAOYSA-N
XLogP4.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine
CID 126809435
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
CID 139323710
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
CID 139323711
3-[1-ethyl-5-[2-(4-fluorophenyl)ethyl]pyrazol-3-yl]benzonitrile
CID 69426394
3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-(3,5-difluoro-4-methylphenyl)benzonitrile
CID 158541554
3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 56715776
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
3-(3,5-difluoro-4-pyridinyl)benzonitrile
CID 142452389
3-[4-[1-(ethylamino)ethyl]phenyl]benzonitrile
CID 54912076
3-bromo-4-(2-phenylpropylamino)benzonitrile
CID 43722644
3-(3-methyl-4-propan-2-ylphenyl)benzonitrile
CID 156559237

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile?
The IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile (CID 139323938) is 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile.
What is the SMILES notation for 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile?
The canonical SMILES for 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile is Cc1cc(-c2cccc(C#N)c2)nnc1NCC(C)c1ccc(F)cc1.
What is the InChIKey of 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile?
The InChIKey is ZTEOBAIXUSJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c1-14-10-20(18-5-3-4-16(11-18)12-23)25-26-21(14)24-13-15(2)17-6-8-19(22)9-7-17/h3-11,15H,13H2,1-2H3,(H,24,26).
What are the key properties of 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile?
3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile has a molecular weight of 346.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile is sourced from PubChem (CID 139323938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).