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

C9H15N3O3S — CID 103218262

IUPAC5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
SMILESCCS(=O)(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O3S/c1-2-16(14,15)5-3-4-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3
InChIKeyMHIGFGLTJBKUFJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.35
Rot. Bonds5

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

5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one (PubChem CID 103218262) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
PubChem CID103218262
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
SMILESCCS(=O)(=O)CCCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O3S/c1-2-16(14,15)5-3-4-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3
InChIKeyMHIGFGLTJBKUFJ-UHFFFAOYSA-N
XLogP-0.35
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one (CID 103218262) is 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one is CCS(=O)(=O)CCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one?
The InChIKey is MHIGFGLTJBKUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-16(14,15)5-3-4-12-9(13)6-8(10)7-11-12/h6-7H,2-5,10H2,1H3.
What are the key properties of 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one?
5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one has a molecular weight of 245.30 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one is sourced from PubChem (CID 103218262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).