trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium

C14H28N4O2+2 — CID 3380577

IUPACtrimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
SMILESC[N+](C)(C)CCOc1ccc(=O)n(CC[N+](C)(C)C)n1
InChIInChI=1S/C14H28N4O2/c1-17(2,3)10-9-16-14(19)8-7-13(15-16)20-12-11-18(4,5)6/h7-8H,9-12H2,1-6H3/q+2
InChIKeyYPDBPWJAXLGJDO-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.03
Rot. Bonds7

About trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium

trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium (PubChem CID 3380577) has the molecular formula C14H28N4O2+2 and a molecular weight of 284.40 g/mol. Its IUPAC name is trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
PubChem CID3380577
Molecular FormulaC14H28N4O2+2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Nametrimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
SMILESC[N+](C)(C)CCOc1ccc(=O)n(CC[N+](C)(C)C)n1
InChIInChI=1S/C14H28N4O2/c1-17(2,3)10-9-16-14(19)8-7-13(15-16)20-12-11-18(4,5)6/h7-8H,9-12H2,1-6H3/q+2
InChIKeyYPDBPWJAXLGJDO-UHFFFAOYSA-N
XLogP0.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
6-[2-(Trimethylamino)ethoxy]-2-[2-(trimethylamino)ethyl]-2-hydropyridazin-3-on e, iodide, iodide
CID 18528221
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
2-(2-Azidoethyl)-6-methoxypyridazin-3-one
CID 105061962
2-[2-[2-(Diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one
CID 105062152
2-[2-(2-Ethoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062166
2-[2-(2-Butoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062167
6-Methoxy-2-[2-(2-methoxyethylamino)ethyl]pyridazin-3-one
CID 105062195
2-[2-[2-(Dimethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one
CID 113675826
6-Methoxy-2-[2-(1-methoxypropan-2-ylamino)ethyl]pyridazin-3-one
CID 113675830
2-[2-(Dimethylamino)ethyl]-6-methoxypyridazin-3-one
CID 132587173
6-Methoxy-2-(2-methoxyethyl)pyridazin-3-one
CID 132587174

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium?
The IUPAC name of trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium (CID 3380577) is trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium is C[N+](C)(C)CCOc1ccc(=O)n(CC[N+](C)(C)C)n1.
What is the InChIKey of trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium?
The InChIKey is YPDBPWJAXLGJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-17(2,3)10-9-16-14(19)8-7-13(15-16)20-12-11-18(4,5)6/h7-8H,9-12H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium?
trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium has a molecular weight of 284.40 g/mol, XLogP of 0.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium is sourced from PubChem (CID 3380577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).