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

C10H14N2O3 — CID 175920254

IUPAC4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)6-8(10(14)15)12-9(13)4-3-5-11-12/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyXKKSJJLCEGUNJE-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.92
Rot. Bonds4

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

4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 175920254) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
PubChem CID175920254
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ncccc1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)6-8(10(14)15)12-9(13)4-3-5-11-12/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyXKKSJJLCEGUNJE-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid (CID 175920254) is 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid is CC(C)CC(C(=O)O)n1ncccc1=O.
What is the InChIKey of 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is XKKSJJLCEGUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)6-8(10(14)15)12-9(13)4-3-5-11-12/h3-5,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid?
4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 175920254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).