6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid

C7H7F3N2O3 — CID 63937997

IUPAC6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CC(F)(F)F)C(=O)CC1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-12-5(13)2-1-4(11-12)6(14)15/h1-3H2,(H,14,15)
InChIKeyJWRKFXRQQMBSTM-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.61
Rot. Bonds2

About 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 63937997) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID63937997
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CC(F)(F)F)C(=O)CC1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-12-5(13)2-1-4(11-12)6(14)15/h1-3H2,(H,14,15)
InChIKeyJWRKFXRQQMBSTM-UHFFFAOYSA-N
XLogP0.61
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-oxo-1-(2,2,2-trifluoroethyl)-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

Related Compounds

1-Methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 4736916
1-(2-Methylpropyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 16228205
1-Cyclopropyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 155822205
6-(Hydroxymethyl)-2-(4,4,4-trifluorobutyl)-4,5-dihydropyridazin-3(2H)-one
CID 67150765
Ethyl 6-oxo-1-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydro-pyridazine-3-carboxylate
CID 67150852
Methyl 6-oxo-1-(4,4,4-trifluorobutyl)-1,4,5,6-tetrahydro-pyridazine-3-carboxylate
CID 67151023
6-(Hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydro-pyridazin-3 (2H)-one
CID 67151400
6-Oxo-1-(propan-2-yl)-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 50986579
6-Oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 54961961
6-Oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61491283
1-(2,2-Difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 63937995
6-Oxo-1-(3,3,3-trifluoropropyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 64565695

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid (CID 63937997) is 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(CC(F)(F)F)C(=O)CC1.
What is the InChIKey of 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is JWRKFXRQQMBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)3-12-5(13)2-1-4(11-12)6(14)15/h1-3H2,(H,14,15).
What are the key properties of 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 224.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 63937997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).