5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one

C12H19N3O3S — CID 103220699

IUPAC5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
SMILESCS(=O)(=O)CCCn1ncc(NC2CCC2)cc1=O
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)7-3-6-15-12(16)8-11(9-13-15)14-10-4-2-5-10/h8-10,14H,2-7H2,1H3
InChIKeyLXIZCJBRDDYRIY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.64
Rot. Bonds6

About 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one

5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one (PubChem CID 103220699) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
PubChem CID103220699
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one
SMILESCS(=O)(=O)CCCn1ncc(NC2CCC2)cc1=O
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)7-3-6-15-12(16)8-11(9-13-15)14-10-4-2-5-10/h8-10,14H,2-7H2,1H3
InChIKeyLXIZCJBRDDYRIY-UHFFFAOYSA-N
XLogP0.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one (CID 103220699) is 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one is CS(=O)(=O)CCCn1ncc(NC2CCC2)cc1=O.
What is the InChIKey of 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one?
The InChIKey is LXIZCJBRDDYRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(17,18)7-3-6-15-12(16)8-11(9-13-15)14-10-4-2-5-10/h8-10,14H,2-7H2,1H3.
What are the key properties of 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one?
5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one has a molecular weight of 285.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-(3-methylsulfonylpropyl)pyridazin-3-one is sourced from PubChem (CID 103220699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).