2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O4 — CID 79261290

IUPAC2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)4-15(3-7(17)18)8(19)5-1-2-6(16)14-13-5/h1-4H2,(H,14,16)(H,17,18)
InChIKeyIRKHPAOXWMUXCT-UHFFFAOYSA-N
MW281.19 g/mol
LogP-0.27
Rot. Bonds4

About 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79261290) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79261290
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)4-15(3-7(17)18)8(19)5-1-2-6(16)14-13-5/h1-4H2,(H,14,16)(H,17,18)
InChIKeyIRKHPAOXWMUXCT-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 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79261290) is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IRKHPAOXWMUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O4/c10-9(11,12)4-15(3-7(17)18)8(19)5-1-2-6(16)14-13-5/h1-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic 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 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79261290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).