2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium

C11H16N3+ — CID 168769656

IUPAC2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
SMILESCc1cc(C(C)C)n[n+]2c1=NC(C)C=2
InChIInChI=1S/C11H16N3/c1-7(2)10-5-8(3)11-12-9(4)6-14(11)13-10/h5-7,9H,1-4H3/q+1
InChIKeyZADHKAJHOICDMY-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.83
Rot. Bonds1

About 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium

2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium (PubChem CID 168769656) has the molecular formula C11H16N3+ and a molecular weight of 190.27 g/mol. Its IUPAC name is 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium.

Molecular Properties

Compound Name2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
PubChem CID168769656
Molecular FormulaC11H16N3+
Molecular Weight190.27 g/mol
Exact Mass190.13
IUPAC Name2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium
SMILESCc1cc(C(C)C)n[n+]2c1=NC(C)C=2
InChIInChI=1S/C11H16N3/c1-7(2)10-5-8(3)11-12-9(4)6-14(11)13-10/h5-7,9H,1-4H3/q+1
InChIKeyZADHKAJHOICDMY-UHFFFAOYSA-N
XLogP0.83
TPSA31.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.83
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 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The IUPAC name of 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium (CID 168769656) is 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium.
What is the SMILES notation for 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The canonical SMILES for 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium is Cc1cc(C(C)C)n[n+]2c1=NC(C)C=2.
What is the InChIKey of 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
The InChIKey is ZADHKAJHOICDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3/c1-7(2)10-5-8(3)11-12-9(4)6-14(11)13-10/h5-7,9H,1-4H3/q+1.
What are the key properties of 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium?
2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium has a molecular weight of 190.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-propan-2-yl-2H-imidazo[1,2-b]pyridazin-4-ium is sourced from PubChem (CID 168769656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).