4-(6-oxopyridazin-1-yl)butanoic acid

C8H10N2O3 — CID 62851008

IUPAC4-(6-oxopyridazin-1-yl)butanoic acid
SMILESO=C(O)CCCn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c11-7-3-1-5-9-10(7)6-2-4-8(12)13/h1,3,5H,2,4,6H2,(H,12,13)
InChIKeyGDXLKXUCMYFUBR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.11
Rot. Bonds4

About 4-(6-oxopyridazin-1-yl)butanoic acid

4-(6-oxopyridazin-1-yl)butanoic acid (PubChem CID 62851008) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-(6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-oxopyridazin-1-yl)butanoic acid
PubChem CID62851008
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-(6-oxopyridazin-1-yl)butanoic acid
SMILESO=C(O)CCCn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c11-7-3-1-5-9-10(7)6-2-4-8(12)13/h1,3,5H,2,4,6H2,(H,12,13)
InChIKeyGDXLKXUCMYFUBR-UHFFFAOYSA-N
XLogP0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 4-(6-oxopyridazin-1-yl)butanoic acid (CID 62851008) is 4-(6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 4-(6-oxopyridazin-1-yl)butanoic acid is O=C(O)CCCn1ncccc1=O.
What is the InChIKey of 4-(6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is GDXLKXUCMYFUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7-3-1-5-9-10(7)6-2-4-8(12)13/h1,3,5H,2,4,6H2,(H,12,13).
What are the key properties of 4-(6-oxopyridazin-1-yl)butanoic acid?
4-(6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 62851008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).