4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid

C9H7N3O4 — CID 162732471

IUPAC4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1N1C(=O)CCC1=O
InChIInChI=1S/C9H7N3O4/c13-6-1-2-7(14)12(6)5-3-4-10-11-8(5)9(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyCGSXPNCMEAJNHZ-UHFFFAOYSA-N
MW221.17 g/mol
LogP-0.17
Rot. Bonds2

About 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid

4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 162732471) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid
PubChem CID162732471
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1N1C(=O)CCC1=O
InChIInChI=1S/C9H7N3O4/c13-6-1-2-7(14)12(6)5-3-4-10-11-8(5)9(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyCGSXPNCMEAJNHZ-UHFFFAOYSA-N
XLogP-0.17
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid (CID 162732471) is 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid is O=C(O)c1nnccc1N1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is CGSXPNCMEAJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c13-6-1-2-7(14)12(6)5-3-4-10-11-8(5)9(15)16/h3-4H,1-2H2,(H,15,16).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid?
4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 162732471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).