2-hydroxy-5-methoxypyridazin-3-one

C5H6N2O3 — CID 89130502

IUPAC2-hydroxy-5-methoxypyridazin-3-one
SMILESCOc1cnn(O)c(=O)c1
InChIInChI=1S/C5H6N2O3/c1-10-4-2-5(8)7(9)6-3-4/h2-3,9H,1H3
InChIKeyOKURXCMGGRXIPN-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.51
Rot. Bonds1

About 2-hydroxy-5-methoxypyridazin-3-one

2-hydroxy-5-methoxypyridazin-3-one (PubChem CID 89130502) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-hydroxy-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-hydroxy-5-methoxypyridazin-3-one
PubChem CID89130502
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-hydroxy-5-methoxypyridazin-3-one
SMILESCOc1cnn(O)c(=O)c1
InChIInChI=1S/C5H6N2O3/c1-10-4-2-5(8)7(9)6-3-4/h2-3,9H,1H3
InChIKeyOKURXCMGGRXIPN-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxypyridazin-3-one?
The IUPAC name of 2-hydroxy-5-methoxypyridazin-3-one (CID 89130502) is 2-hydroxy-5-methoxypyridazin-3-one.
What is the SMILES notation for 2-hydroxy-5-methoxypyridazin-3-one?
The canonical SMILES for 2-hydroxy-5-methoxypyridazin-3-one is COc1cnn(O)c(=O)c1.
What is the InChIKey of 2-hydroxy-5-methoxypyridazin-3-one?
The InChIKey is OKURXCMGGRXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-4-2-5(8)7(9)6-3-4/h2-3,9H,1H3.
What are the key properties of 2-hydroxy-5-methoxypyridazin-3-one?
2-hydroxy-5-methoxypyridazin-3-one has a molecular weight of 142.11 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 2-hydroxy-5-methoxypyridazin-3-one is sourced from PubChem (CID 89130502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).