2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid

C10H14N2O3 — CID 106548444

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)n1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-3-4-8(10(14)15)12-9(13)5-7(2)6-11-12/h5-6,8H,3-4H2,1-2H3,(H,14,15)
InChIKeyLITKPDOCANRMFY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.98
Rot. Bonds4

About 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid

2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 106548444) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
PubChem CID106548444
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)n1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-3-4-8(10(14)15)12-9(13)5-7(2)6-11-12/h5-6,8H,3-4H2,1-2H3,(H,14,15)
InChIKeyLITKPDOCANRMFY-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid
CID 57919312
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441
(2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588058
2-(3-Chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588061
4-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 175920254
2-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 82239548
6-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548378
Methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
CID 106548388
3-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548391

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid (CID 106548444) is 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid is CCCC(C(=O)O)n1ncc(C)cc1=O.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is LITKPDOCANRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-8(10(14)15)12-9(13)5-7(2)6-11-12/h5-6,8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 106548444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).