5-methoxy-2,4,6-trimethylpyridazin-3-one

C8H12N2O2 — CID 91328413

IUPAC5-methoxy-2,4,6-trimethylpyridazin-3-one
SMILESCOc1c(C)nn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O2/c1-5-7(12-4)6(2)9-10(3)8(5)11/h1-4H3
InChIKeyUTXOGISQQCFDLC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.41
Rot. Bonds1

About 5-methoxy-2,4,6-trimethylpyridazin-3-one

5-methoxy-2,4,6-trimethylpyridazin-3-one (PubChem CID 91328413) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methoxy-2,4,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2,4,6-trimethylpyridazin-3-one
PubChem CID91328413
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methoxy-2,4,6-trimethylpyridazin-3-one
SMILESCOc1c(C)nn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O2/c1-5-7(12-4)6(2)9-10(3)8(5)11/h1-4H3
InChIKeyUTXOGISQQCFDLC-UHFFFAOYSA-N
XLogP0.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
5-Methoxy-2,4-dimethyl-6-propan-2-ylpyridazin-3-one
CID 91249120
5-Methoxy-2,6-dimethylpyridazin-3-one
CID 129080474
4-Ethyl-5-methoxy-2-methylpyridazin-3-one
CID 146614849
4-(Ethoxyethylidene)-1,3-dimethyl-1,2-diazolin-5-one
CID 27276397
4-Ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709278
4-(1-Ethoxyethylidene)-2,5-dimethylpyrazol-3-one
CID 74523708
5-Ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827652

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4,6-trimethylpyridazin-3-one?
The IUPAC name of 5-methoxy-2,4,6-trimethylpyridazin-3-one (CID 91328413) is 5-methoxy-2,4,6-trimethylpyridazin-3-one.
What is the SMILES notation for 5-methoxy-2,4,6-trimethylpyridazin-3-one?
The canonical SMILES for 5-methoxy-2,4,6-trimethylpyridazin-3-one is COc1c(C)nn(C)c(=O)c1C.
What is the InChIKey of 5-methoxy-2,4,6-trimethylpyridazin-3-one?
The InChIKey is UTXOGISQQCFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(12-4)6(2)9-10(3)8(5)11/h1-4H3.
What are the key properties of 5-methoxy-2,4,6-trimethylpyridazin-3-one?
5-methoxy-2,4,6-trimethylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4,6-trimethylpyridazin-3-one is sourced from PubChem (CID 91328413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).