6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid

C7H6F3N3O2 — CID 60791675

IUPAC6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC(F)(F)F)nn1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-11-5-2-1-4(6(14)15)12-13-5/h1-2H,3H2,(H,11,13)(H,14,15)
InChIKeyZDSAKSXUROEGIZ-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.15
Rot. Bonds3

About 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid

6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid (PubChem CID 60791675) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid
PubChem CID60791675
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCC(F)(F)F)nn1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-11-5-2-1-4(6(14)15)12-13-5/h1-2H,3H2,(H,11,13)(H,14,15)
InChIKeyZDSAKSXUROEGIZ-UHFFFAOYSA-N
XLogP1.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid (CID 60791675) is 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCC(F)(F)F)nn1.
What is the InChIKey of 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid?
The InChIKey is ZDSAKSXUROEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)3-11-5-2-1-4(6(14)15)12-13-5/h1-2H,3H2,(H,11,13)(H,14,15).
What are the key properties of 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid?
6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid has a molecular weight of 221.14 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).