6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one

C12H21N3O2 — CID 105062199

IUPAC6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
SMILESCCCNCCCCn1nc(OC)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-3-8-13-9-4-5-10-15-12(16)7-6-11(14-15)17-2/h6-7,13H,3-5,8-10H2,1-2H3
InChIKeyGVIRBOFPSMXGQZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds8

About 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one

6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one (PubChem CID 105062199) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
PubChem CID105062199
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
SMILESCCCNCCCCn1nc(OC)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-3-8-13-9-4-5-10-15-12(16)7-6-11(14-15)17-2/h6-7,13H,3-5,8-10H2,1-2H3
InChIKeyGVIRBOFPSMXGQZ-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-[2-(2-ethoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062166
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
6-methoxy-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 105061674
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
6-methoxy-2-[2-(2-methylanilino)ethyl]pyridazin-3-one
CID 105062130
2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062157
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
CID 105062241

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one (CID 105062199) is 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one is CCCNCCCCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one?
The InChIKey is GVIRBOFPSMXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-8-13-9-4-5-10-15-12(16)7-6-11(14-15)17-2/h6-7,13H,3-5,8-10H2,1-2H3.
What are the key properties of 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one?
6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 105062199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).