4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol

C17H19N3O — CID 19784154

IUPAC4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol
SMILESCCc1nc2c(C)cc(C)nn2c1Cc1ccc(O)cc1
InChIInChI=1S/C17H19N3O/c1-4-15-16(10-13-5-7-14(21)8-6-13)20-17(18-15)11(2)9-12(3)19-20/h5-9,21H,4,10H2,1-3H3
InChIKeyJOOZYKPTOXUEKM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.20
Rot. Bonds3

About 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol

4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol (PubChem CID 19784154) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol
PubChem CID19784154
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol
SMILESCCc1nc2c(C)cc(C)nn2c1Cc1ccc(O)cc1
InChIInChI=1S/C17H19N3O/c1-4-15-16(10-13-5-7-14(21)8-6-13)20-17(18-15)11(2)9-12(3)19-20/h5-9,21H,4,10H2,1-3H3
InChIKeyJOOZYKPTOXUEKM-UHFFFAOYSA-N
XLogP3.20
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol (CID 19784154) is 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol is CCc1nc2c(C)cc(C)nn2c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol?
The InChIKey is JOOZYKPTOXUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-15-16(10-13-5-7-14(21)8-6-13)20-17(18-15)11(2)9-12(3)19-20/h5-9,21H,4,10H2,1-3H3.
What are the key properties of 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol?
4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 19784154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).