6-(4-methylsulfonylphenyl)pyridazin-3-amine

C11H11N3O2S — CID 62202678

IUPAC6-(4-methylsulfonylphenyl)pyridazin-3-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C11H11N3O2S/c1-17(15,16)9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14)
InChIKeyADXLXRNEDYEGPS-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.13
Rot. Bonds2

About 6-(4-methylsulfonylphenyl)pyridazin-3-amine

6-(4-methylsulfonylphenyl)pyridazin-3-amine (PubChem CID 62202678) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)pyridazin-3-amine
PubChem CID62202678
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-(4-methylsulfonylphenyl)pyridazin-3-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C11H11N3O2S/c1-17(15,16)9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14)
InChIKeyADXLXRNEDYEGPS-UHFFFAOYSA-N
XLogP1.13
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(4-methylsulfonylphenyl)pyridazin-3-amine (CID 62202678) is 6-(4-methylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)pyridazin-3-amine is CS(=O)(=O)c1ccc(-c2ccc(N)nn2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is ADXLXRNEDYEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-17(15,16)9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14).
What are the key properties of 6-(4-methylsulfonylphenyl)pyridazin-3-amine?
6-(4-methylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 249.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 62202678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).