4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid

C9H12N2O3 — CID 62923347

IUPAC4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1ccc(=O)n(CCCC(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-7-4-5-8(12)11(10-7)6-2-3-9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyWUEMOGTVFUBHDZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds4

About 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid

4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 62923347) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID62923347
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1ccc(=O)n(CCCC(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-7-4-5-8(12)11(10-7)6-2-3-9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyWUEMOGTVFUBHDZ-UHFFFAOYSA-N
XLogP0.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 62923347) is 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is Cc1ccc(=O)n(CCCC(=O)O)n1.
What is the InChIKey of 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is WUEMOGTVFUBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-4-5-8(12)11(10-7)6-2-3-9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid?
4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 62923347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).