4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile

C19H18N4S — CID 66888862

IUPAC4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(SC4CCCCC4)nn23)cc1
InChIInChI=1S/C19H18N4S/c20-12-14-6-8-15(9-7-14)17-13-21-18-10-11-19(22-23(17)18)24-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2
InChIKeyOOJNFYFVTSSVAZ-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.69
Rot. Bonds3

About 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile

4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile (PubChem CID 66888862) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile
PubChem CID66888862
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(SC4CCCCC4)nn23)cc1
InChIInChI=1S/C19H18N4S/c20-12-14-6-8-15(9-7-14)17-13-21-18-10-11-19(22-23(17)18)24-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2
InChIKeyOOJNFYFVTSSVAZ-UHFFFAOYSA-N
XLogP4.69
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile?
The IUPAC name of 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile (CID 66888862) is 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile.
What is the SMILES notation for 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile?
The canonical SMILES for 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile is N#Cc1ccc(-c2cnc3ccc(SC4CCCCC4)nn23)cc1.
What is the InChIKey of 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile?
The InChIKey is OOJNFYFVTSSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c20-12-14-6-8-15(9-7-14)17-13-21-18-10-11-19(22-23(17)18)24-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2.
What are the key properties of 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile?
4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile has a molecular weight of 334.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclohexylsulfanylimidazo[1,2-b]pyridazin-3-yl)benzonitrile is sourced from PubChem (CID 66888862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).