6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine

C16H13N3 — CID 123876012

IUPAC6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine
SMILESC#Cc1cnc2ccc(-c3ccc(CC)cc3)nn12
InChIInChI=1S/C16H13N3/c1-3-12-5-7-13(8-6-12)15-9-10-16-17-11-14(4-2)19(16)18-15/h2,5-11H,3H2,1H3
InChIKeyQOWTULTZQKJDGZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.94
Rot. Bonds2

About 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine

6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine (PubChem CID 123876012) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine
PubChem CID123876012
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine
SMILESC#Cc1cnc2ccc(-c3ccc(CC)cc3)nn12
InChIInChI=1S/C16H13N3/c1-3-12-5-7-13(8-6-12)15-9-10-16-17-11-14(4-2)19(16)18-15/h2,5-11H,3H2,1H3
InChIKeyQOWTULTZQKJDGZ-UHFFFAOYSA-N
XLogP2.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 123669260
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
[4-(6-phenylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 126672911
6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 82167163
3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
CID 144888691
3-(4-ethylphenyl)-1-propan-2-ylpyrazole
CID 176678956
3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 13112863
4-methyl-3-[2-[6-[4-[[2-(methylamino)ethylamino]methyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile
CID 144821702
1-ethyl-3-(4-ethylphenyl)pyrazole
CID 70954966
3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146316110
2-(4-ethylphenyl)-5-methylpyrazine
CID 91097565

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine (CID 123876012) is 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine is C#Cc1cnc2ccc(-c3ccc(CC)cc3)nn12.
What is the InChIKey of 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine?
The InChIKey is QOWTULTZQKJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-3-12-5-7-13(8-6-12)15-9-10-16-17-11-14(4-2)19(16)18-15/h2,5-11H,3H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine?
6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine has a molecular weight of 247.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 123876012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).