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

C20H15N5 — CID 122179540

IUPAC4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1
InChIInChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24)
InChIKeyOXQTXNVWTNDAQF-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.88
Rot. Bonds4

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

4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 122179540) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID122179540
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1
InChIInChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24)
InChIKeyOXQTXNVWTNDAQF-UHFFFAOYSA-N
XLogP3.88
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 126469830
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 44580273
N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine
CID 123679403
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801
[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126475803
[4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 58857573
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696

Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 122179540) is 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.
What is the InChIKey of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is OXQTXNVWTNDAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24).
What are the key properties of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 122179540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).