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

C12H14F3N3O2 — CID 62703534

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N(CC(F)(F)F)C2CC2)c(C(=O)O)c1C
InChIInChI=1S/C12H14F3N3O2/c1-6-7(2)16-17-10(9(6)11(19)20)18(8-3-4-8)5-12(13,14)15/h8H,3-5H2,1-2H3,(H,19,20)
InChIKeyNWKXATQSPGBZDV-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.32
Rot. Bonds4

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

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62703534) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62703534
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N(CC(F)(F)F)C2CC2)c(C(=O)O)c1C
InChIInChI=1S/C12H14F3N3O2/c1-6-7(2)16-17-10(9(6)11(19)20)18(8-3-4-8)5-12(13,14)15/h8H,3-5H2,1-2H3,(H,19,20)
InChIKeyNWKXATQSPGBZDV-UHFFFAOYSA-N
XLogP2.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 62703534) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(N(CC(F)(F)F)C2CC2)c(C(=O)O)c1C.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is NWKXATQSPGBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-6-7(2)16-17-10(9(6)11(19)20)18(8-3-4-8)5-12(13,14)15/h8H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62703534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).