6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine

C12H16N4O2S — CID 166695391

IUPAC6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine
SMILESCCS(=O)(=O)C1=CC=CNC1(C)c1ccc(N)nn1
InChIInChI=1S/C12H16N4O2S/c1-3-19(17,18)10-5-4-8-14-12(10,2)9-6-7-11(13)16-15-9/h4-8,14H,3H2,1-2H3,(H2,13,16)
InChIKeyBYPXLKMZZCQMFU-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.71
Rot. Bonds3

About 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine

6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine (PubChem CID 166695391) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine
PubChem CID166695391
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine
SMILESCCS(=O)(=O)C1=CC=CNC1(C)c1ccc(N)nn1
InChIInChI=1S/C12H16N4O2S/c1-3-19(17,18)10-5-4-8-14-12(10,2)9-6-7-11(13)16-15-9/h4-8,14H,3H2,1-2H3,(H2,13,16)
InChIKeyBYPXLKMZZCQMFU-UHFFFAOYSA-N
XLogP0.71
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine?
The IUPAC name of 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine (CID 166695391) is 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine is CCS(=O)(=O)C1=CC=CNC1(C)c1ccc(N)nn1.
What is the InChIKey of 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine?
The InChIKey is BYPXLKMZZCQMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-19(17,18)10-5-4-8-14-12(10,2)9-6-7-11(13)16-15-9/h4-8,14H,3H2,1-2H3,(H2,13,16).
What are the key properties of 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine?
6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine has a molecular weight of 280.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine is sourced from PubChem (CID 166695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).