6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one

C9H15N3O3S — CID 106729463

IUPAC6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
SMILESCCCS(=O)(=O)CCn1nc(N)ccc1=O
InChIInChI=1S/C9H15N3O3S/c1-2-6-16(14,15)7-5-12-9(13)4-3-8(10)11-12/h3-4H,2,5-7H2,1H3,(H2,10,11)
InChIKeyDRHHRYXSDCHUMV-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.35
Rot. Bonds5

About 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one

6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one (PubChem CID 106729463) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
PubChem CID106729463
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
SMILESCCCS(=O)(=O)CCn1nc(N)ccc1=O
InChIInChI=1S/C9H15N3O3S/c1-2-6-16(14,15)7-5-12-9(13)4-3-8(10)11-12/h3-4H,2,5-7H2,1H3,(H2,10,11)
InChIKeyDRHHRYXSDCHUMV-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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Related Compounds

6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 114526571
2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 116788210
6-amino-2-pent-3-ynylpyridazin-3-one
CID 116788413
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167
6-amino-2-(2-methylpentyl)pyridazin-3-one
CID 116788206
5-methyl-1-(2-propylsulfonylethyl)pyrazole
CID 106731583
[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine
CID 106731927
1-(2-ethylsulfonylethyl)pyrazol-3-amine
CID 54594595
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 116788287
6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 116788217
2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
CID 116788262

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one (CID 106729463) is 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one is CCCS(=O)(=O)CCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one?
The InChIKey is DRHHRYXSDCHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-6-16(14,15)7-5-12-9(13)4-3-8(10)11-12/h3-4H,2,5-7H2,1H3,(H2,10,11).
What are the key properties of 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one?
6-amino-2-(2-propylsulfonylethyl)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 6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one is sourced from PubChem (CID 106729463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).