4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

C16H16N4O2 — CID 59379856

IUPAC4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESCCCNc1ccc2ncc(-c3ccc(C(=O)O)cc3)n2n1
InChIInChI=1S/C16H16N4O2/c1-2-9-17-14-7-8-15-18-10-13(20(15)19-14)11-3-5-12(6-4-11)16(21)22/h3-8,10H,2,9H2,1H3,(H,17,19)(H,21,22)
InChIKeyPFZZHTJWZSSQMY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.92
Rot. Bonds5

About 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 59379856) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID59379856
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESCCCNc1ccc2ncc(-c3ccc(C(=O)O)cc3)n2n1
InChIInChI=1S/C16H16N4O2/c1-2-9-17-14-7-8-15-18-10-13(20(15)19-14)11-3-5-12(6-4-11)16(21)22/h3-8,10H,2,9H2,1H3,(H,17,19)(H,21,22)
InChIKeyPFZZHTJWZSSQMY-UHFFFAOYSA-N
XLogP2.92
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 59379856) is 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is CCCNc1ccc2ncc(-c3ccc(C(=O)O)cc3)n2n1.
What is the InChIKey of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is PFZZHTJWZSSQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-9-17-14-7-8-15-18-10-13(20(15)19-14)11-3-5-12(6-4-11)16(21)22/h3-8,10H,2,9H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 59379856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).