5-pyridazin-3-ylpentanoic acid

C9H12N2O2 — CID 22934383

IUPAC5-pyridazin-3-ylpentanoic acid
SMILESO=C(O)CCCCc1cccnn1
InChIInChI=1S/C9H12N2O2/c12-9(13)6-2-1-4-8-5-3-7-10-11-8/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyWTAWKOBSGSNVIK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.27
Rot. Bonds5

About 5-pyridazin-3-ylpentanoic acid

5-pyridazin-3-ylpentanoic acid (PubChem CID 22934383) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-pyridazin-3-ylpentanoic acid.

Molecular Properties

Compound Name5-pyridazin-3-ylpentanoic acid
PubChem CID22934383
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-pyridazin-3-ylpentanoic acid
SMILESO=C(O)CCCCc1cccnn1
InChIInChI=1S/C9H12N2O2/c12-9(13)6-2-1-4-8-5-3-7-10-11-8/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyWTAWKOBSGSNVIK-UHFFFAOYSA-N
XLogP1.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pyridazin-3-ylpentanoic acid?
The IUPAC name of 5-pyridazin-3-ylpentanoic acid (CID 22934383) is 5-pyridazin-3-ylpentanoic acid.
What is the SMILES notation for 5-pyridazin-3-ylpentanoic acid?
The canonical SMILES for 5-pyridazin-3-ylpentanoic acid is O=C(O)CCCCc1cccnn1.
What is the InChIKey of 5-pyridazin-3-ylpentanoic acid?
The InChIKey is WTAWKOBSGSNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)6-2-1-4-8-5-3-7-10-11-8/h3,5,7H,1-2,4,6H2,(H,12,13).
What are the key properties of 5-pyridazin-3-ylpentanoic acid?
5-pyridazin-3-ylpentanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-3-ylpentanoic acid is sourced from PubChem (CID 22934383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).