2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one

C9H14N2O3 — CID 141119119

IUPAC2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
SMILESCOCCOCCn1ncccc1=O
InChIInChI=1S/C9H14N2O3/c1-13-7-8-14-6-5-11-9(12)3-2-4-10-11/h2-4H,5-8H2,1H3
InChIKeyZMCAUQGBJPHGNU-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.09
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one

2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one (PubChem CID 141119119) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
PubChem CID141119119
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
SMILESCOCCOCCn1ncccc1=O
InChIInChI=1S/C9H14N2O3/c1-13-7-8-14-6-5-11-9(12)3-2-4-10-11/h2-4H,5-8H2,1H3
InChIKeyZMCAUQGBJPHGNU-UHFFFAOYSA-N
XLogP-0.09
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
2-[2-(2,2,3,3,3-Pentafluoropropoxy)ethyl]pyridazin-3-one
CID 99844147
2-(2,2-Diethoxyethyl)-3(2h)-pyridazinone
CID 63629771
2-(2-Hydroxy-3-methoxypropyl)pyridazin-3-one
CID 91026591
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 123747839
2-[2-(Morpholin-4-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126851094
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(3-Methylmorpholin-4-yl)pyridazin-3-one
CID 140320821
2-[(2S)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 141267631
4-(2-Methoxyethoxy)-2-methylpyridazin-3-one
CID 144580843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one (CID 141119119) is 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one is COCCOCCn1ncccc1=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
The InChIKey is ZMCAUQGBJPHGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-13-7-8-14-6-5-11-9(12)3-2-4-10-11/h2-4H,5-8H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one?
2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one has a molecular weight of 198.22 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 141119119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).