6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid

C10H16N2O3 — CID 43563755

IUPAC6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCCCCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-7-12-9(13)6-5-8(11-12)10(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyVGGAPFZLXCBDJJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.24
Rot. Bonds5

About 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 43563755) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID43563755
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCCCCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-7-12-9(13)6-5-8(11-12)10(14)15/h2-7H2,1H3,(H,14,15)
InChIKeyVGGAPFZLXCBDJJ-UHFFFAOYSA-N
XLogP1.24
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.24
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 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid (CID 43563755) is 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid is CCCCCN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is VGGAPFZLXCBDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-4-7-12-9(13)6-5-8(11-12)10(14)15/h2-7H2,1H3,(H,14,15).
What are the key properties of 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 43563755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).