[3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol

C19H15N3O — CID 126672898

IUPAC[3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4ccccc4)n3n2)c1
InChIInChI=1S/C19H15N3O/c23-13-14-5-4-8-16(11-14)17-9-10-19-20-12-18(22(19)21-17)15-6-2-1-3-7-15/h1-12,23H,13H2
InChIKeyCAIHXLOGYHTLQE-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.56
Rot. Bonds3

About [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol

[3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (PubChem CID 126672898) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
PubChem CID126672898
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name[3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(-c4ccccc4)n3n2)c1
InChIInChI=1S/C19H15N3O/c23-13-14-5-4-8-16(11-14)17-9-10-19-20-12-18(22(19)21-17)15-6-2-1-3-7-15/h1-12,23H,13H2
InChIKeyCAIHXLOGYHTLQE-UHFFFAOYSA-N
XLogP3.56
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The IUPAC name of [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (CID 126672898) is [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.
What is the SMILES notation for [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The canonical SMILES for [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is OCc1cccc(-c2ccc3ncc(-c4ccccc4)n3n2)c1.
What is the InChIKey of [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The InChIKey is CAIHXLOGYHTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-13-14-5-4-8-16(11-14)17-9-10-19-20-12-18(22(19)21-17)15-6-2-1-3-7-15/h1-12,23H,13H2.
What are the key properties of [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
[3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol has a molecular weight of 301.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is sourced from PubChem (CID 126672898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).