4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid

C8H6N2O3 — CID 10374990

IUPAC4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2cccc2c1=O
InChIInChI=1S/C8H6N2O3/c11-7-5(8(12)13)4-9-10-3-1-2-6(7)10/h1-4,9H,(H,12,13)
InChIKeyZUCADCLTCASMIN-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.33
Rot. Bonds1

About 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid

4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 10374990) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID10374990
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2cccc2c1=O
InChIInChI=1S/C8H6N2O3/c11-7-5(8(12)13)4-9-10-3-1-2-6(7)10/h1-4,9H,(H,12,13)
InChIKeyZUCADCLTCASMIN-UHFFFAOYSA-N
XLogP0.33
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid (CID 10374990) is 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1c[nH]n2cccc2c1=O.
What is the InChIKey of 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is ZUCADCLTCASMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-5(8(12)13)4-9-10-3-1-2-6(7)10/h1-4,9H,(H,12,13).
What are the key properties of 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 10374990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).