2-(6-oxopyridazin-1-yl)propanoic acid

C7H8N2O3 — CID 52992014

IUPAC2-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncccc1=O
InChIInChI=1S/C7H8N2O3/c1-5(7(11)12)9-6(10)3-2-4-8-9/h2-5H,1H3,(H,11,12)
InChIKeyZAKDXWSLVZHZLK-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.11
Rot. Bonds2

About 2-(6-oxopyridazin-1-yl)propanoic acid

2-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 52992014) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID52992014
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncccc1=O
InChIInChI=1S/C7H8N2O3/c1-5(7(11)12)9-6(10)3-2-4-8-9/h2-5H,1H3,(H,11,12)
InChIKeyZAKDXWSLVZHZLK-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(6-oxopyridazin-1-yl)propanoic acid (CID 52992014) is 2-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)propanoic acid is CC(C(=O)O)n1ncccc1=O.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is ZAKDXWSLVZHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(7(11)12)9-6(10)3-2-4-8-9/h2-5H,1H3,(H,11,12).
What are the key properties of 2-(6-oxopyridazin-1-yl)propanoic acid?
2-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 52992014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).