3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C11H14F3N3O2 — CID 62703199

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-4-17(5-11(12,13)14)9-8(10(18)19)6(2)7(3)15-16-9/h4-5H2,1-3H3,(H,18,19)
InChIKeyRMXYYGRSGILTIH-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.18
Rot. Bonds4

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62703199) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62703199
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-4-17(5-11(12,13)14)9-8(10(18)19)6(2)7(3)15-16-9/h4-5H2,1-3H3,(H,18,19)
InChIKeyRMXYYGRSGILTIH-UHFFFAOYSA-N
XLogP2.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 62703199) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is CCN(CC(F)(F)F)c1nnc(C)c(C)c1C(=O)O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is RMXYYGRSGILTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-4-17(5-11(12,13)14)9-8(10(18)19)6(2)7(3)15-16-9/h4-5H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).