1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C9H14N2O4 — CID 60925756

IUPAC1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCOCCCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C9H14N2O4/c1-15-6-2-5-11-8(12)4-3-7(10-11)9(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyFVYNLKXBMQICIL-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.09
Rot. Bonds5

About 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 60925756) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID60925756
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCOCCCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C9H14N2O4/c1-15-6-2-5-11-8(12)4-3-7(10-11)9(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyFVYNLKXBMQICIL-UHFFFAOYSA-N
XLogP0.09
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
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 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 60925756) is 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is COCCCN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is FVYNLKXBMQICIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-15-6-2-5-11-8(12)4-3-7(10-11)9(13)14/h2-6H2,1H3,(H,13,14).
What are the key properties of 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 60925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).