4,5-diethoxy-2-methylpyridazin-3-one

C9H14N2O3 — CID 767886

IUPAC4,5-diethoxy-2-methylpyridazin-3-one
SMILESCCOc1cnn(C)c(=O)c1OCC
InChIInChI=1S/C9H14N2O3/c1-4-13-7-6-10-11(3)9(12)8(7)14-5-2/h6H,4-5H2,1-3H3
InChIKeyJTKPWWGMRMWTMH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.58
Rot. Bonds4

About 4,5-diethoxy-2-methylpyridazin-3-one

4,5-diethoxy-2-methylpyridazin-3-one (PubChem CID 767886) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,5-diethoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4,5-diethoxy-2-methylpyridazin-3-one
PubChem CID767886
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4,5-diethoxy-2-methylpyridazin-3-one
SMILESCCOc1cnn(C)c(=O)c1OCC
InChIInChI=1S/C9H14N2O3/c1-4-13-7-6-10-11(3)9(12)8(7)14-5-2/h6H,4-5H2,1-3H3
InChIKeyJTKPWWGMRMWTMH-UHFFFAOYSA-N
XLogP0.58
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethoxy-2-methylpyridazin-3-one?
The IUPAC name of 4,5-diethoxy-2-methylpyridazin-3-one (CID 767886) is 4,5-diethoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4,5-diethoxy-2-methylpyridazin-3-one?
The canonical SMILES for 4,5-diethoxy-2-methylpyridazin-3-one is CCOc1cnn(C)c(=O)c1OCC.
What is the InChIKey of 4,5-diethoxy-2-methylpyridazin-3-one?
The InChIKey is JTKPWWGMRMWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-7-6-10-11(3)9(12)8(7)14-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 4,5-diethoxy-2-methylpyridazin-3-one?
4,5-diethoxy-2-methylpyridazin-3-one has a molecular weight of 198.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 767886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).