6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium

C7H9FN3+ — CID 88601902

IUPAC6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium
SMILESCN1CC[n+]2nc(F)ccc21
InChIInChI=1S/C7H9FN3/c1-10-4-5-11-7(10)3-2-6(8)9-11/h2-3H,4-5H2,1H3/q+1
InChIKeySQSAKCYDRZQYAR-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.04
Rot. Bonds

About 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium

6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium (PubChem CID 88601902) has the molecular formula C7H9FN3+ and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium.

Molecular Properties

Compound Name6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium
PubChem CID88601902
Molecular FormulaC7H9FN3+
Molecular Weight154.17 g/mol
Exact Mass154.08
IUPAC Name6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium
SMILESCN1CC[n+]2nc(F)ccc21
InChIInChI=1S/C7H9FN3/c1-10-4-5-11-7(10)3-2-6(8)9-11/h2-3H,4-5H2,1H3/q+1
InChIKeySQSAKCYDRZQYAR-UHFFFAOYSA-N
XLogP-0.04
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium?
The IUPAC name of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium (CID 88601902) is 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium.
What is the SMILES notation for 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium?
The canonical SMILES for 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium is CN1CC[n+]2nc(F)ccc21.
What is the InChIKey of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium?
The InChIKey is SQSAKCYDRZQYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN3/c1-10-4-5-11-7(10)3-2-6(8)9-11/h2-3H,4-5H2,1H3/q+1.
What are the key properties of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium?
6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium has a molecular weight of 154.17 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium is sourced from PubChem (CID 88601902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).