(E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid

C10H7N3O4 — CID 141002292

IUPAC(E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid
SMILESO=C(O)/C=C(/C(=O)O)c1cn2ncccc2n1
InChIInChI=1S/C10H7N3O4/c14-9(15)4-6(10(16)17)7-5-13-8(12-7)2-1-3-11-13/h1-5H,(H,14,15)(H,16,17)/b6-4+
InChIKeyMNEBZIXDGJNCGJ-GQCTYLIASA-N
MW233.18 g/mol
LogP0.28
Rot. Bonds3

About (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid

(E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid (PubChem CID 141002292) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid
PubChem CID141002292
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name(E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid
SMILESO=C(O)/C=C(/C(=O)O)c1cn2ncccc2n1
InChIInChI=1S/C10H7N3O4/c14-9(15)4-6(10(16)17)7-5-13-8(12-7)2-1-3-11-13/h1-5H,(H,14,15)(H,16,17)/b6-4+
InChIKeyMNEBZIXDGJNCGJ-GQCTYLIASA-N
XLogP0.28
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid?
The IUPAC name of (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid (CID 141002292) is (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid.
What is the SMILES notation for (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid?
The canonical SMILES for (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid is O=C(O)/C=C(/C(=O)O)c1cn2ncccc2n1.
What is the InChIKey of (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid?
The InChIKey is MNEBZIXDGJNCGJ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H7N3O4/c14-9(15)4-6(10(16)17)7-5-13-8(12-7)2-1-3-11-13/h1-5H,(H,14,15)(H,16,17)/b6-4+.
What are the key properties of (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid?
(E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid has a molecular weight of 233.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-imidazo[1,2-b]pyridazin-2-ylbut-2-enedioic acid is sourced from PubChem (CID 141002292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).