2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine

C13H10F3N5O2S — CID 118871956

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine
SMILESCCS(=O)(=O)c1cccnc1-n1cc2nnc(C(F)(F)F)cc2n1
InChIInChI=1S/C13H10F3N5O2S/c1-2-24(22,23)10-4-3-5-17-12(10)21-7-9-8(20-21)6-11(19-18-9)13(14,15)16/h3-7H,2H2,1H3
InChIKeySOHNJFGECGWMDL-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine

2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine (PubChem CID 118871956) has the molecular formula C13H10F3N5O2S and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine
PubChem CID118871956
Molecular FormulaC13H10F3N5O2S
Molecular Weight357.32 g/mol
Exact Mass357.05
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine
SMILESCCS(=O)(=O)c1cccnc1-n1cc2nnc(C(F)(F)F)cc2n1
InChIInChI=1S/C13H10F3N5O2S/c1-2-24(22,23)10-4-3-5-17-12(10)21-7-9-8(20-21)6-11(19-18-9)13(14,15)16/h3-7H,2H2,1H3
InChIKeySOHNJFGECGWMDL-UHFFFAOYSA-N
XLogP2.02
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]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 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine (CID 118871956) is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine is CCS(=O)(=O)c1cccnc1-n1cc2nnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine?
The InChIKey is SOHNJFGECGWMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2S/c1-2-24(22,23)10-4-3-5-17-12(10)21-7-9-8(20-21)6-11(19-18-9)13(14,15)16/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine?
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine has a molecular weight of 357.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridazine is sourced from PubChem (CID 118871956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).