2,6-dimethoxypyridazin-3-one

C6H8N2O3 — CID 21124362

IUPAC2,6-dimethoxypyridazin-3-one
SMILESCOc1ccc(=O)n(OC)n1
InChIInChI=1S/C6H8N2O3/c1-10-5-3-4-6(9)8(7-5)11-2/h3-4H,1-2H3
InChIKeyRYDJMHUIOKHBES-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.69
Rot. Bonds2

About 2,6-dimethoxypyridazin-3-one

2,6-dimethoxypyridazin-3-one (PubChem CID 21124362) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2,6-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethoxypyridazin-3-one
PubChem CID21124362
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2,6-dimethoxypyridazin-3-one
SMILESCOc1ccc(=O)n(OC)n1
InChIInChI=1S/C6H8N2O3/c1-10-5-3-4-6(9)8(7-5)11-2/h3-4H,1-2H3
InChIKeyRYDJMHUIOKHBES-UHFFFAOYSA-N
XLogP-0.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyridazin-3-one?
The IUPAC name of 2,6-dimethoxypyridazin-3-one (CID 21124362) is 2,6-dimethoxypyridazin-3-one.
What is the SMILES notation for 2,6-dimethoxypyridazin-3-one?
The canonical SMILES for 2,6-dimethoxypyridazin-3-one is COc1ccc(=O)n(OC)n1.
What is the InChIKey of 2,6-dimethoxypyridazin-3-one?
The InChIKey is RYDJMHUIOKHBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-10-5-3-4-6(9)8(7-5)11-2/h3-4H,1-2H3.
What are the key properties of 2,6-dimethoxypyridazin-3-one?
2,6-dimethoxypyridazin-3-one has a molecular weight of 156.14 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyridazin-3-one is sourced from PubChem (CID 21124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).