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

C21H17N5 — CID 122179545

IUPAC4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESCN(Cc1ccccc1)c1ccc2ncc(-c3ccc(C#N)cc3)n2n1
InChIInChI=1S/C21H17N5/c1-25(15-17-5-3-2-4-6-17)21-12-11-20-23-14-19(26(20)24-21)18-9-7-16(13-22)8-10-18/h2-12,14H,15H2,1H3
InChIKeyAJDJDSOIQFUPTC-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.90
Rot. Bonds4

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

4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 122179545) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID122179545
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESCN(Cc1ccccc1)c1ccc2ncc(-c3ccc(C#N)cc3)n2n1
InChIInChI=1S/C21H17N5/c1-25(15-17-5-3-2-4-6-17)21-12-11-20-23-14-19(26(20)24-21)18-9-7-16(13-22)8-10-18/h2-12,14H,15H2,1H3
InChIKeyAJDJDSOIQFUPTC-UHFFFAOYSA-N
XLogP3.90
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 122179545) is 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is CN(Cc1ccccc1)c1ccc2ncc(-c3ccc(C#N)cc3)n2n1.
What is the InChIKey of 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is AJDJDSOIQFUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-25(15-17-5-3-2-4-6-17)21-12-11-20-23-14-19(26(20)24-21)18-9-7-16(13-22)8-10-18/h2-12,14H,15H2,1H3.
What are the key properties of 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 339.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[benzyl(methyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 122179545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).