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

C10H17N3O3S — CID 106729462

IUPAC6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
SMILESCC(C)(C)S(=O)(=O)CCn1nc(N)ccc1=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)17(15,16)7-6-13-9(14)5-4-8(11)12-13/h4-5H,6-7H2,1-3H3,(H2,11,12)
InChIKeyKGDADAGQLNAPAS-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.04
Rot. Bonds3

About 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one

6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one (PubChem CID 106729462) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
PubChem CID106729462
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
SMILESCC(C)(C)S(=O)(=O)CCn1nc(N)ccc1=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)17(15,16)7-6-13-9(14)5-4-8(11)12-13/h4-5H,6-7H2,1-3H3,(H2,11,12)
InChIKeyKGDADAGQLNAPAS-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

2-Ethyl-6-ethylsulfonyl-3(2H)-pyridazinone
CID 566002
6-Amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
CID 106729461
6-Amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
6-Amino-2-(2-propan-2-ylsulfonylethyl)pyridazin-3-one
CID 106729464
6-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 116788177
6-Amino-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 116788221
6-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 116788247
6-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 116788362
6-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 116788372
6-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 116788415
3-Ethenylsulfonyl-N-(1-methyl-6-oxopyridazin-3-yl)propanamide
CID 132390272

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one (CID 106729462) is 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one is CC(C)(C)S(=O)(=O)CCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
The InChIKey is KGDADAGQLNAPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,3)17(15,16)7-6-13-9(14)5-4-8(11)12-13/h4-5H,6-7H2,1-3H3,(H2,11,12).
What are the key properties of 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one?
6-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 6-amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one is sourced from PubChem (CID 106729462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).