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

C12H13N3O2S — CID 82485991

IUPAC6-(4-ethylsulfonylphenyl)pyridazin-3-amine
SMILESCCS(=O)(=O)c1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C12H13N3O2S/c1-2-18(16,17)10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyGDBNKQSWOJVLPN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.52
Rot. Bonds3

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

6-(4-ethylsulfonylphenyl)pyridazin-3-amine (PubChem CID 82485991) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-(4-ethylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-ethylsulfonylphenyl)pyridazin-3-amine
PubChem CID82485991
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-(4-ethylsulfonylphenyl)pyridazin-3-amine
SMILESCCS(=O)(=O)c1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C12H13N3O2S/c1-2-18(16,17)10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyGDBNKQSWOJVLPN-UHFFFAOYSA-N
XLogP1.52
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(4-ethylsulfonylphenyl)pyridazin-3-amine (CID 82485991) is 6-(4-ethylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-ethylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-ethylsulfonylphenyl)pyridazin-3-amine is CCS(=O)(=O)c1ccc(-c2ccc(N)nn2)cc1.
What is the InChIKey of 6-(4-ethylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is GDBNKQSWOJVLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-18(16,17)10-5-3-9(4-6-10)11-7-8-12(13)15-14-11/h3-8H,2H2,1H3,(H2,13,15).
What are the key properties of 6-(4-ethylsulfonylphenyl)pyridazin-3-amine?
6-(4-ethylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 263.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 82485991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).