3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide

C12H20N4O3 — CID 103223298

IUPAC3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(OCCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-15(2)11(17)4-6-16-12(18)8-10(9-14-16)19-7-3-5-13/h8-9H,3-7,13H2,1-2H3
InChIKeyIFUPOIBHMVGJMX-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.55
Rot. Bonds7

About 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide

3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 103223298) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
PubChem CID103223298
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1ncc(OCCCN)cc1=O
InChIInChI=1S/C12H20N4O3/c1-15(2)11(17)4-6-16-12(18)8-10(9-14-16)19-7-3-5-13/h8-9H,3-7,13H2,1-2H3
InChIKeyIFUPOIBHMVGJMX-UHFFFAOYSA-N
XLogP-0.55
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide 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

3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103222872
5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103223312
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]pentanenitrile
CID 103222821
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
CID 103223192
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]butanenitrile
CID 103222795
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide (CID 103223298) is 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1ncc(OCCCN)cc1=O.
What is the InChIKey of 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is IFUPOIBHMVGJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15(2)11(17)4-6-16-12(18)8-10(9-14-16)19-7-3-5-13/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide?
3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 268.32 g/mol, XLogP of -0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 103223298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).