2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine

C15H20FN3O — CID 163679543

IUPAC2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine
SMILESCCCCc1cn2nc(OC/C(=C/F)CC)ccc2n1
InChIInChI=1S/C15H20FN3O/c1-3-5-6-13-10-19-14(17-13)7-8-15(18-19)20-11-12(4-2)9-16/h7-10H,3-6,11H2,1-2H3/b12-9+
InChIKeyGBPLZVYSKIAMAV-FMIVXFBMSA-N
MW277.34 g/mol
LogP3.71
Rot. Bonds7

About 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine

2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine (PubChem CID 163679543) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine
PubChem CID163679543
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine
SMILESCCCCc1cn2nc(OC/C(=C/F)CC)ccc2n1
InChIInChI=1S/C15H20FN3O/c1-3-5-6-13-10-19-14(17-13)7-8-15(18-19)20-11-12(4-2)9-16/h7-10H,3-6,11H2,1-2H3/b12-9+
InChIKeyGBPLZVYSKIAMAV-FMIVXFBMSA-N
XLogP3.71
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine (CID 163679543) is 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine is CCCCc1cn2nc(OC/C(=C/F)CC)ccc2n1.
What is the InChIKey of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine?
The InChIKey is GBPLZVYSKIAMAV-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-5-6-13-10-19-14(17-13)7-8-15(18-19)20-11-12(4-2)9-16/h7-10H,3-6,11H2,1-2H3/b12-9+.
What are the key properties of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine?
2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine has a molecular weight of 277.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163679543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).