3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid

C13H17N3O2 — CID 116821736

IUPAC3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid
SMILESCC(C)(C)c1ccc2nc(CCC(=O)O)cn2n1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)10-5-6-11-14-9(4-7-12(17)18)8-16(11)15-10/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyXHPBPJNDPQBTGD-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.04
Rot. Bonds3

About 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid

3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid (PubChem CID 116821736) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid
PubChem CID116821736
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid
SMILESCC(C)(C)c1ccc2nc(CCC(=O)O)cn2n1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)10-5-6-11-14-9(4-7-12(17)18)8-16(11)15-10/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyXHPBPJNDPQBTGD-UHFFFAOYSA-N
XLogP2.04
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid?
The IUPAC name of 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid (CID 116821736) is 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid is CC(C)(C)c1ccc2nc(CCC(=O)O)cn2n1.
What is the InChIKey of 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid?
The InChIKey is XHPBPJNDPQBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)10-5-6-11-14-9(4-7-12(17)18)8-16(11)15-10/h5-6,8H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid?
3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid has a molecular weight of 247.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylimidazo[1,2-b]pyridazin-2-yl)propanoic acid is sourced from PubChem (CID 116821736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).