6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine

C9H14ClN3O2S — CID 114478179

IUPAC6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine
SMILESCC(C)(CNc1cnnc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C9H14ClN3O2S/c1-9(2,16(3,14)15)6-11-7-4-8(10)13-12-5-7/h4-5H,6H2,1-3H3,(H,11,13)
InChIKeyIUVBDRSTBJYKGA-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.37
Rot. Bonds4

About 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine

6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine (PubChem CID 114478179) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine
PubChem CID114478179
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine
SMILESCC(C)(CNc1cnnc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C9H14ClN3O2S/c1-9(2,16(3,14)15)6-11-7-4-8(10)13-12-5-7/h4-5H,6H2,1-3H3,(H,11,13)
InChIKeyIUVBDRSTBJYKGA-UHFFFAOYSA-N
XLogP1.37
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine (CID 114478179) is 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine is CC(C)(CNc1cnnc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine?
The InChIKey is IUVBDRSTBJYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-9(2,16(3,14)15)6-11-7-4-8(10)13-12-5-7/h4-5H,6H2,1-3H3,(H,11,13).
What are the key properties of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine?
6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine has a molecular weight of 263.75 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine is sourced from PubChem (CID 114478179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).