2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid

C12H16N4O3 — CID 141002290

IUPAC2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cn2nc(NCCO)ccc2n1
InChIInChI=1S/C12H16N4O3/c1-12(2,11(18)19)8-7-16-10(14-8)4-3-9(15-16)13-5-6-17/h3-4,7,17H,5-6H2,1-2H3,(H,13,15)(H,18,19)
InChIKeyAAHAMIPTNHWWJY-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.50
Rot. Bonds5

About 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid

2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid (PubChem CID 141002290) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid
PubChem CID141002290
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cn2nc(NCCO)ccc2n1
InChIInChI=1S/C12H16N4O3/c1-12(2,11(18)19)8-7-16-10(14-8)4-3-9(15-16)13-5-6-17/h3-4,7,17H,5-6H2,1-2H3,(H,13,15)(H,18,19)
InChIKeyAAHAMIPTNHWWJY-UHFFFAOYSA-N
XLogP0.50
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid (CID 141002290) is 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cn2nc(NCCO)ccc2n1.
What is the InChIKey of 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid?
The InChIKey is AAHAMIPTNHWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,11(18)19)8-7-16-10(14-8)4-3-9(15-16)13-5-6-17/h3-4,7,17H,5-6H2,1-2H3,(H,13,15)(H,18,19).
What are the key properties of 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid?
2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid has a molecular weight of 264.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 141002290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).