3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine

C13H12F3N3S — CID 124614725

IUPAC3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCC[C@@H]2c2cccs2)nn1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)11-5-6-12(18-17-11)19-7-1-3-9(19)10-4-2-8-20-10/h2,4-6,8-9H,1,3,7H2/t9-/m1/s1
InChIKeyLBISQKZCGYGHIV-SECBINFHSA-N
MW299.32 g/mol
LogP3.90
Rot. Bonds2

About 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 124614725) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID124614725
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCC[C@@H]2c2cccs2)nn1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)11-5-6-12(18-17-11)19-7-1-3-9(19)10-4-2-8-20-10/h2,4-6,8-9H,1,3,7H2/t9-/m1/s1
InChIKeyLBISQKZCGYGHIV-SECBINFHSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine 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-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 124614725) is 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(N2CCC[C@@H]2c2cccs2)nn1.
What is the InChIKey of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is LBISQKZCGYGHIV-SECBINFHSA-N. The full InChI is InChI=1S/C13H12F3N3S/c14-13(15,16)11-5-6-12(18-17-11)19-7-1-3-9(19)10-4-2-8-20-10/h2,4-6,8-9H,1,3,7H2/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 299.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 124614725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).