5-hydroxy-4-methoxy-2-methylpyridazin-3-one

C6H8N2O3 — CID 54695800

IUPAC5-hydroxy-4-methoxy-2-methylpyridazin-3-one
SMILESCOc1c(O)cnn(C)c1=O
InChIInChI=1S/C6H8N2O3/c1-8-6(10)5(11-2)4(9)3-7-8/h3,9H,1-2H3
InChIKeyJAKZHDBMQQLHFZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.51
Rot. Bonds1

About 5-hydroxy-4-methoxy-2-methylpyridazin-3-one

5-hydroxy-4-methoxy-2-methylpyridazin-3-one (PubChem CID 54695800) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-2-methylpyridazin-3-one
PubChem CID54695800
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-hydroxy-4-methoxy-2-methylpyridazin-3-one
SMILESCOc1c(O)cnn(C)c1=O
InChIInChI=1S/C6H8N2O3/c1-8-6(10)5(11-2)4(9)3-7-8/h3,9H,1-2H3
InChIKeyJAKZHDBMQQLHFZ-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 5-hydroxy-4-methoxy-2-methylpyridazin-3-one (CID 54695800) is 5-hydroxy-4-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-4-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-4-methoxy-2-methylpyridazin-3-one is COc1c(O)cnn(C)c1=O.
What is the InChIKey of 5-hydroxy-4-methoxy-2-methylpyridazin-3-one?
The InChIKey is JAKZHDBMQQLHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8-6(10)5(11-2)4(9)3-7-8/h3,9H,1-2H3.
What are the key properties of 5-hydroxy-4-methoxy-2-methylpyridazin-3-one?
5-hydroxy-4-methoxy-2-methylpyridazin-3-one has a molecular weight of 156.14 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 54695800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).