3-(6-oxopyridazin-1-yl)propanoic acid

C7H8N2O3 — CID 62850301

IUPAC3-(6-oxopyridazin-1-yl)propanoic acid
SMILESO=C(O)CCn1ncccc1=O
InChIInChI=1S/C7H8N2O3/c10-6-2-1-4-8-9(6)5-3-7(11)12/h1-2,4H,3,5H2,(H,11,12)
InChIKeyAAPXBAZSCGKKIR-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.28
Rot. Bonds3

About 3-(6-oxopyridazin-1-yl)propanoic acid

3-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 62850301) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID62850301
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(6-oxopyridazin-1-yl)propanoic acid
SMILESO=C(O)CCn1ncccc1=O
InChIInChI=1S/C7H8N2O3/c10-6-2-1-4-8-9(6)5-3-7(11)12/h1-2,4H,3,5H2,(H,11,12)
InChIKeyAAPXBAZSCGKKIR-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 3-(6-oxopyridazin-1-yl)propanoic acid (CID 62850301) is 3-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 3-(6-oxopyridazin-1-yl)propanoic acid is O=C(O)CCn1ncccc1=O.
What is the InChIKey of 3-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is AAPXBAZSCGKKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-2-1-4-8-9(6)5-3-7(11)12/h1-2,4H,3,5H2,(H,11,12).
What are the key properties of 3-(6-oxopyridazin-1-yl)propanoic acid?
3-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 62850301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).