2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile

C20H14N4 — CID 11722918

IUPAC2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile
SMILESCc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1
InChIInChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3
InChIKeyVFZLFQOBMMOQQX-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.24
Rot. Bonds2

About 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile

2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile (PubChem CID 11722918) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile
PubChem CID11722918
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile
SMILESCc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1
InChIInChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3
InChIKeyVFZLFQOBMMOQQX-UHFFFAOYSA-N
XLogP4.24
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Tpa-023B
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US10399985, Example 8
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CID 2819025
FK-739
CID 23668568
2-[[6-(2-Methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methylamino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile?
The IUPAC name of 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile (CID 11722918) is 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile is Cc1cnn2c(-c3cccc(-c4ccccc4C#N)c3)cnc2c1.
What is the InChIKey of 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile?
The InChIKey is VFZLFQOBMMOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3.
What are the key properties of 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile?
2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 11722918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).