2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C14H25N3O4 — CID 114396159

IUPAC2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCCOC(Cn1ncc(N(C)CCOC)cc1=O)OCC
InChIInChI=1S/C14H25N3O4/c1-5-20-14(21-6-2)11-17-13(18)9-12(10-15-17)16(3)7-8-19-4/h9-10,14H,5-8,11H2,1-4H3
InChIKeyXPGRCUNMLRAWNE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.73
Rot. Bonds10

About 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396159) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114396159
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCCOC(Cn1ncc(N(C)CCOC)cc1=O)OCC
InChIInChI=1S/C14H25N3O4/c1-5-20-14(21-6-2)11-17-13(18)9-12(10-15-17)16(3)7-8-19-4/h9-10,14H,5-8,11H2,1-4H3
InChIKeyXPGRCUNMLRAWNE-UHFFFAOYSA-N
XLogP0.73
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394768
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395681
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395810
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[2-ethyl-2-(sulfanylmethyl)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114398991
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
2-[(4-bromophenyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396920
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114396159) is 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is CCOC(Cn1ncc(N(C)CCOC)cc1=O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is XPGRCUNMLRAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-20-14(21-6-2)11-17-13(18)9-12(10-15-17)16(3)7-8-19-4/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 299.37 g/mol, XLogP of 0.73, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).