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

C10H14N3+ — CID 177071354

IUPAC2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
SMILESCC1C=[n+]2nc(C(C)C)ccc2=N1
InChIInChI=1S/C10H14N3/c1-7(2)9-4-5-10-11-8(3)6-13(10)12-9/h4-8H,1-3H3/q+1
InChIKeyLDPFARKMGKVFGH-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.52
Rot. Bonds1

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

2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium (PubChem CID 177071354) has the molecular formula C10H14N3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
PubChem CID177071354
Molecular FormulaC10H14N3+
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Name2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
SMILESCC1C=[n+]2nc(C(C)C)ccc2=N1
InChIInChI=1S/C10H14N3/c1-7(2)9-4-5-10-11-8(3)6-13(10)12-9/h4-8H,1-3H3/q+1
InChIKeyLDPFARKMGKVFGH-UHFFFAOYSA-N
XLogP0.52
TPSA31.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.52
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 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The IUPAC name of 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium (CID 177071354) is 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium.
What is the SMILES notation for 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The canonical SMILES for 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium is CC1C=[n+]2nc(C(C)C)ccc2=N1.
What is the InChIKey of 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The InChIKey is LDPFARKMGKVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3/c1-7(2)9-4-5-10-11-8(3)6-13(10)12-9/h4-8H,1-3H3/q+1.
What are the key properties of 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium has a molecular weight of 176.24 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium is sourced from PubChem (CID 177071354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).