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

C9H12N2O3 — CID 57213770

IUPAC3-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)n1ncccc1=O
InChIInChI=1S/C9H12N2O3/c1-2-7(6-9(13)14)11-8(12)4-3-5-10-11/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyOIPYTFXAGRUCFA-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.67
Rot. Bonds4

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

3-(6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 57213770) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-(6-oxopyridazin-1-yl)pentanoic acid
PubChem CID57213770
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(6-oxopyridazin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)n1ncccc1=O
InChIInChI=1S/C9H12N2O3/c1-2-7(6-9(13)14)11-8(12)4-3-5-10-11/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyOIPYTFXAGRUCFA-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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)pentanoic acid?
The IUPAC name of 3-(6-oxopyridazin-1-yl)pentanoic acid (CID 57213770) is 3-(6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 3-(6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 3-(6-oxopyridazin-1-yl)pentanoic acid is CCC(CC(=O)O)n1ncccc1=O.
What is the InChIKey of 3-(6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is OIPYTFXAGRUCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-7(6-9(13)14)11-8(12)4-3-5-10-11/h3-5,7H,2,6H2,1H3,(H,13,14).
What are the key properties of 3-(6-oxopyridazin-1-yl)pentanoic acid?
3-(6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.67, 4 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)pentanoic acid is sourced from PubChem (CID 57213770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).