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

C19H19N5 — CID 44580442

IUPAC4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)cc1
InChIInChI=1S/C19H19N5/c20-12-14-6-8-15(9-7-14)17-13-21-19-11-10-18(23-24(17)19)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2,(H,22,23)
InChIKeyDJWHAISGEPYECC-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.01
Rot. Bonds3

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

4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 44580442) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID44580442
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)cc1
InChIInChI=1S/C19H19N5/c20-12-14-6-8-15(9-7-14)17-13-21-19-11-10-18(23-24(17)19)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2,(H,22,23)
InChIKeyDJWHAISGEPYECC-UHFFFAOYSA-N
XLogP4.01
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(cyclohexylamino)imidazo[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-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 44580442) is 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is DJWHAISGEPYECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c20-12-14-6-8-15(9-7-14)17-13-21-19-11-10-18(23-24(17)19)22-16-4-2-1-3-5-16/h6-11,13,16H,1-5H2,(H,22,23).
What are the key properties of 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 317.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 44580442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).