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

C8H9F3N2O3 — CID 64565695

IUPAC6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCC(F)(F)F)C(=O)CC1
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)3-4-13-6(14)2-1-5(12-13)7(15)16/h1-4H2,(H,15,16)
InChIKeyJSCAQGHOVURZQS-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.00
Rot. Bonds3

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

6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 64565695) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID64565695
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCC(F)(F)F)C(=O)CC1
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)3-4-13-6(14)2-1-5(12-13)7(15)16/h1-4H2,(H,15,16)
InChIKeyJSCAQGHOVURZQS-UHFFFAOYSA-N
XLogP1.00
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid (CID 64565695) is 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(CCC(F)(F)F)C(=O)CC1.
What is the InChIKey of 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is JSCAQGHOVURZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)3-4-13-6(14)2-1-5(12-13)7(15)16/h1-4H2,(H,15,16).
What are the key properties of 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 238.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 64565695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).