5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one

C10H17N3O3S — CID 106736996

IUPAC5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
SMILESCC(C)(C)S(=O)(=O)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)17(15,16)5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyHZKKYAOLDXSGHG-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.04
Rot. Bonds3

About 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one

5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one (PubChem CID 106736996) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
PubChem CID106736996
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
SMILESCC(C)(C)S(=O)(=O)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)17(15,16)5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyHZKKYAOLDXSGHG-UHFFFAOYSA-N
XLogP0.04
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one
CID 102888056
5-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218183
5-Amino-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218236
5-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103218237
5-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 103218262
5-Amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218308
5-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103218404
5-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103218445
5-(Methylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218462
5-(Methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218515
2-(2-Ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
2-(3-Ethylsulfonylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218544

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one (CID 106736996) is 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one is CC(C)(C)S(=O)(=O)CCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
The InChIKey is HZKKYAOLDXSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,3)17(15,16)5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one has a molecular weight of 259.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one is sourced from PubChem (CID 106736996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).