5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid

C9H12N2O4 — CID 28971828

IUPAC5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid
SMILESO=C(O)CCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H12N2O4/c12-7-4-5-8(13)11(10-7)6-2-1-3-9(14)15/h4-5H,1-3,6H2,(H,10,12)(H,14,15)
InChIKeyDJNDUBYSXUAUCV-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.21
Rot. Bonds5

About 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid

5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid (PubChem CID 28971828) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid
PubChem CID28971828
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid
SMILESO=C(O)CCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H12N2O4/c12-7-4-5-8(13)11(10-7)6-2-1-3-9(14)15/h4-5H,1-3,6H2,(H,10,12)(H,14,15)
InChIKeyDJNDUBYSXUAUCV-UHFFFAOYSA-N
XLogP-0.21
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid?
The IUPAC name of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid (CID 28971828) is 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid.
What is the SMILES notation for 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid?
The canonical SMILES for 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid is O=C(O)CCCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid?
The InChIKey is DJNDUBYSXUAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-4-5-8(13)11(10-7)6-2-1-3-9(14)15/h4-5H,1-3,6H2,(H,10,12)(H,14,15).
What are the key properties of 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid?
5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid has a molecular weight of 212.20 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dioxo-1H-pyridazin-2-yl)pentanoic acid is sourced from PubChem (CID 28971828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).