6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid

C9H10F3N3O4 — CID 61492572

IUPAC6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(CN1N=C(C(=O)O)CCC1=O)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)4-13-6(16)3-15-7(17)2-1-5(14-15)8(18)19/h1-4H2,(H,13,16)(H,18,19)
InChIKeySPVFKLZMSLAZBG-UHFFFAOYSA-N
MW281.19 g/mol
LogP-0.27
Rot. Bonds4

About 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 61492572) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID61492572
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(CN1N=C(C(=O)O)CCC1=O)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)4-13-6(16)3-15-7(17)2-1-5(14-15)8(18)19/h1-4H2,(H,13,16)(H,18,19)
InChIKeySPVFKLZMSLAZBG-UHFFFAOYSA-N
XLogP-0.27
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid (CID 61492572) is 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid is O=C(CN1N=C(C(=O)O)CCC1=O)NCC(F)(F)F.
What is the InChIKey of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is SPVFKLZMSLAZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O4/c10-9(11,12)4-13-6(16)3-15-7(17)2-1-5(14-15)8(18)19/h1-4H2,(H,13,16)(H,18,19).
What are the key properties of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 281.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 61492572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).