6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid

C8H7N3O2 — CID 116854345

IUPAC6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1ccc2ncc(C(=O)O)n2n1
InChIInChI=1S/C8H7N3O2/c1-5-2-3-7-9-4-6(8(12)13)11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKeyPYOPLNFOORYSBM-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds1

About 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid

6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 116854345) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID116854345
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1ccc2ncc(C(=O)O)n2n1
InChIInChI=1S/C8H7N3O2/c1-5-2-3-7-9-4-6(8(12)13)11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKeyPYOPLNFOORYSBM-UHFFFAOYSA-N
XLogP0.74
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid (CID 116854345) is 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid is Cc1ccc2ncc(C(=O)O)n2n1.
What is the InChIKey of 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is PYOPLNFOORYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-2-3-7-9-4-6(8(12)13)11(7)10-5/h2-4H,1H3,(H,12,13).
What are the key properties of 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 116854345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).