5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid

C9H10F3N3O2 — CID 62709593

IUPAC5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NCC(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C9H10F3N3O2/c1-4-5(2)14-15-7(6(4)8(16)17)13-3-9(10,11)12/h3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyWEFOPTDNOGZSSE-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.77
Rot. Bonds3

About 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid (PubChem CID 62709593) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid
PubChem CID62709593
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NCC(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C9H10F3N3O2/c1-4-5(2)14-15-7(6(4)8(16)17)13-3-9(10,11)12/h3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyWEFOPTDNOGZSSE-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid (CID 62709593) is 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid is Cc1nnc(NCC(F)(F)F)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid?
The InChIKey is WEFOPTDNOGZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-4-5(2)14-15-7(6(4)8(16)17)13-3-9(10,11)12/h3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 62709593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).