2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one

C9H14N2O4 — CID 105061883

IUPAC2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(OC)OC)n1
InChIInChI=1S/C9H14N2O4/c1-13-7-4-5-8(12)11(10-7)6-9(14-2)15-3/h4-5,9H,6H2,1-3H3
InChIKeyNWQJPJRYBZJENG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.13
Rot. Bonds5

About 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one

2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one (PubChem CID 105061883) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one
PubChem CID105061883
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(OC)OC)n1
InChIInChI=1S/C9H14N2O4/c1-13-7-4-5-8(12)11(10-7)6-9(14-2)15-3/h4-5,9H,6H2,1-3H3
InChIKeyNWQJPJRYBZJENG-UHFFFAOYSA-N
XLogP-0.13
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one (CID 105061883) is 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(OC)OC)n1.
What is the InChIKey of 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one?
The InChIKey is NWQJPJRYBZJENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-13-7-4-5-8(12)11(10-7)6-9(14-2)15-3/h4-5,9H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one?
2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one has a molecular weight of 214.22 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).