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

C8H13N3O3S — CID 103218404

IUPAC5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
SMILESCS(=O)(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O3S/c1-15(13,14)4-2-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3
InChIKeyXJDUYXMCAXGEBC-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.74
Rot. Bonds4

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

5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one (PubChem CID 103218404) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
PubChem CID103218404
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
SMILESCS(=O)(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O3S/c1-15(13,14)4-2-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3
InChIKeyXJDUYXMCAXGEBC-UHFFFAOYSA-N
XLogP-0.74
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.74
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-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
5-(Methylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218592

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one (CID 103218404) is 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one is CS(=O)(=O)CCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one?
The InChIKey is XJDUYXMCAXGEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-15(13,14)4-2-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3.
What are the key properties of 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one?
5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one has a molecular weight of 231.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylsulfonylpropyl)pyridazin-3-one is sourced from PubChem (CID 103218404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).