N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine

C9H15N3O2S — CID 79561473

IUPACN-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
SMILESCC(C)(CNc1cccnn1)S(C)(=O)=O
InChIInChI=1S/C9H15N3O2S/c1-9(2,15(3,13)14)7-10-8-5-4-6-11-12-8/h4-6H,7H2,1-3H3,(H,10,12)
InChIKeyWORKUOOUOCHUGO-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.71
Rot. Bonds4

About N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine

N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine (PubChem CID 79561473) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
PubChem CID79561473
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
SMILESCC(C)(CNc1cccnn1)S(C)(=O)=O
InChIInChI=1S/C9H15N3O2S/c1-9(2,15(3,13)14)7-10-8-5-4-6-11-12-8/h4-6H,7H2,1-3H3,(H,10,12)
InChIKeyWORKUOOUOCHUGO-UHFFFAOYSA-N
XLogP0.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine (CID 79561473) is N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine is CC(C)(CNc1cccnn1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine?
The InChIKey is WORKUOOUOCHUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,15(3,13)14)7-10-8-5-4-6-11-12-8/h4-6H,7H2,1-3H3,(H,10,12).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine?
N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine has a molecular weight of 229.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine is sourced from PubChem (CID 79561473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).