5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one

C12H21N3O2S — CID 103223312

IUPAC5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
SMILESCCSCCCn1ncc(OCCCN)cc1=O
InChIInChI=1S/C12H21N3O2S/c1-2-18-8-4-6-15-12(16)9-11(10-14-15)17-7-3-5-13/h9-10H,2-8,13H2,1H3
InChIKeyOVYBXWCKKFBLOK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.11
Rot. Bonds9

About 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one

5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one (PubChem CID 103223312) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
PubChem CID103223312
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
SMILESCCSCCCn1ncc(OCCCN)cc1=O
InChIInChI=1S/C12H21N3O2S/c1-2-18-8-4-6-15-12(16)9-11(10-14-15)17-7-3-5-13/h9-10H,2-8,13H2,1H3
InChIKeyOVYBXWCKKFBLOK-UHFFFAOYSA-N
XLogP1.11
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103223298
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]butanenitrile
CID 103222795
5-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]pentanenitrile
CID 103222821
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
CID 103223127
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-(2-aminoethoxy)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
CID 103222662
3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103222872
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one (CID 103223312) is 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one is CCSCCCn1ncc(OCCCN)cc1=O.
What is the InChIKey of 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The InChIKey is OVYBXWCKKFBLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-18-8-4-6-15-12(16)9-11(10-14-15)17-7-3-5-13/h9-10H,2-8,13H2,1H3.
What are the key properties of 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one has a molecular weight of 271.39 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 103223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).