6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium

C9H12N3+ — CID 168756149

IUPAC6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
SMILESCC(C)c1ccc2[n+](n1)=CCN=2
InChIInChI=1S/C9H12N3/c1-7(2)8-3-4-9-10-5-6-12(9)11-8/h3-4,6-7H,5H2,1-2H3/q+1
InChIKeyYRROSXYIPQRGEJ-UHFFFAOYSA-N
MW162.22 g/mol
LogP0.14
Rot. Bonds1

About 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium

6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium (PubChem CID 168756149) has the molecular formula C9H12N3+ and a molecular weight of 162.22 g/mol. Its IUPAC name is 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium.

Molecular Properties

Compound Name6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
PubChem CID168756149
Molecular FormulaC9H12N3+
Molecular Weight162.22 g/mol
Exact Mass162.10
IUPAC Name6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
SMILESCC(C)c1ccc2[n+](n1)=CCN=2
InChIInChI=1S/C9H12N3/c1-7(2)8-3-4-9-10-5-6-12(9)11-8/h3-4,6-7H,5H2,1-2H3/q+1
InChIKeyYRROSXYIPQRGEJ-UHFFFAOYSA-N
XLogP0.14
TPSA31.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 50.14
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-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The IUPAC name of 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium (CID 168756149) is 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium.
What is the SMILES notation for 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The canonical SMILES for 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium is CC(C)c1ccc2[n+](n1)=CCN=2.
What is the InChIKey of 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The InChIKey is YRROSXYIPQRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3/c1-7(2)8-3-4-9-10-5-6-12(9)11-8/h3-4,6-7H,5H2,1-2H3/q+1.
What are the key properties of 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium has a molecular weight of 162.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium is sourced from PubChem (CID 168756149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).