3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

C10H12F3N3O2 — CID 80516865

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1nnccc1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-2-5-16(6-10(11,12)13)8-7(9(17)18)3-4-14-15-8/h3-4H,2,5-6H2,1H3,(H,17,18)
InChIKeyXYKXAMFFZBKFGE-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.95
Rot. Bonds5

About 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516865) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516865
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESCCCN(CC(F)(F)F)c1nnccc1C(=O)O
InChIInChI=1S/C10H12F3N3O2/c1-2-5-16(6-10(11,12)13)8-7(9(17)18)3-4-14-15-8/h3-4H,2,5-6H2,1H3,(H,17,18)
InChIKeyXYKXAMFFZBKFGE-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (CID 80516865) is 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is CCCN(CC(F)(F)F)c1nnccc1C(=O)O.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is XYKXAMFFZBKFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-2-5-16(6-10(11,12)13)8-7(9(17)18)3-4-14-15-8/h3-4H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).