2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one

C11H19N3O3 — CID 105061521

IUPAC2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one
SMILESCCOC(CN)CCn1nc(OC)ccc1=O
InChIInChI=1S/C11H19N3O3/c1-3-17-9(8-12)6-7-14-11(15)5-4-10(13-14)16-2/h4-5,9H,3,6-8,12H2,1-2H3
InChIKeyFMOGTFKATUFIIR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.01
Rot. Bonds7

About 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one

2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one (PubChem CID 105061521) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one
PubChem CID105061521
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one
SMILESCCOC(CN)CCn1nc(OC)ccc1=O
InChIInChI=1S/C11H19N3O3/c1-3-17-9(8-12)6-7-14-11(15)5-4-10(13-14)16-2/h4-5,9H,3,6-8,12H2,1-2H3
InChIKeyFMOGTFKATUFIIR-UHFFFAOYSA-N
XLogP0.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one (CID 105061521) is 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one is CCOC(CN)CCn1nc(OC)ccc1=O.
What is the InChIKey of 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one?
The InChIKey is FMOGTFKATUFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-17-9(8-12)6-7-14-11(15)5-4-10(13-14)16-2/h4-5,9H,3,6-8,12H2,1-2H3.
What are the key properties of 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one?
2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxybutyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).