N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine

C9H12F3N3O2S — CID 103880068

IUPACN-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCS(=O)(=O)CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O2S/c1-2-18(16,17)6-5-13-8-4-3-7(14-15-8)9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,15)
InChIKeyUUEWMFZUBRCMMI-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.34
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine

N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103880068) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103880068
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC NameN-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCS(=O)(=O)CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O2S/c1-2-18(16,17)6-5-13-8-4-3-7(14-15-8)9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,15)
InChIKeyUUEWMFZUBRCMMI-UHFFFAOYSA-N
XLogP1.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 103880068) is N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine is CCS(=O)(=O)CCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is UUEWMFZUBRCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-2-18(16,17)6-5-13-8-4-3-7(14-15-8)9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,15).
What are the key properties of N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 283.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103880068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).