5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

C10H12F3N3O2 — CID 55107752

IUPAC5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CC(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C10H12F3N3O2/c1-5-6(2)14-15-8(7(5)9(17)18)16(3)4-10(11,12)13/h4H2,1-3H3,(H,17,18)
InChIKeyIJKASXMWUCZCFE-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.79
Rot. Bonds3

About 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 55107752) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
PubChem CID55107752
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CC(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C10H12F3N3O2/c1-5-6(2)14-15-8(7(5)9(17)18)16(3)4-10(11,12)13/h4H2,1-3H3,(H,17,18)
InChIKeyIJKASXMWUCZCFE-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid (CID 55107752) is 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is Cc1nnc(N(C)CC(F)(F)F)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is IJKASXMWUCZCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-6(2)14-15-8(7(5)9(17)18)16(3)4-10(11,12)13/h4H2,1-3H3,(H,17,18).
What are the key properties of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 55107752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).