3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine

C11H11N3 — CID 123669260

IUPAC3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine
SMILESC#Cc1cnc2ccc(C(C)C)nn12
InChIInChI=1S/C11H11N3/c1-4-9-7-12-11-6-5-10(8(2)3)13-14(9)11/h1,5-8H,2-3H3
InChIKeyKBSLPQSBVGXDQD-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.83
Rot. Bonds1

About 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine

3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine (PubChem CID 123669260) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine
PubChem CID123669260
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine
SMILESC#Cc1cnc2ccc(C(C)C)nn12
InChIInChI=1S/C11H11N3/c1-4-9-7-12-11-6-5-10(8(2)3)13-14(9)11/h1,5-8H,2-3H3
InChIKeyKBSLPQSBVGXDQD-UHFFFAOYSA-N
XLogP1.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine (CID 123669260) is 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine is C#Cc1cnc2ccc(C(C)C)nn12.
What is the InChIKey of 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is KBSLPQSBVGXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-4-9-7-12-11-6-5-10(8(2)3)13-14(9)11/h1,5-8H,2-3H3.
What are the key properties of 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine?
3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 185.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6-propan-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 123669260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).