6-methoxy-2-(methoxymethyl)pyridazin-3-one

C7H10N2O3 — CID 131153895

IUPAC6-methoxy-2-(methoxymethyl)pyridazin-3-one
SMILESCOCn1nc(OC)ccc1=O
InChIInChI=1S/C7H10N2O3/c1-11-5-9-7(10)4-3-6(8-9)12-2/h3-4H,5H2,1-2H3
InChIKeyCPSMKCYFZJTDKQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.14
Rot. Bonds3

About 6-methoxy-2-(methoxymethyl)pyridazin-3-one

6-methoxy-2-(methoxymethyl)pyridazin-3-one (PubChem CID 131153895) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-methoxy-2-(methoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(methoxymethyl)pyridazin-3-one
PubChem CID131153895
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name6-methoxy-2-(methoxymethyl)pyridazin-3-one
SMILESCOCn1nc(OC)ccc1=O
InChIInChI=1S/C7H10N2O3/c1-11-5-9-7(10)4-3-6(8-9)12-2/h3-4H,5H2,1-2H3
InChIKeyCPSMKCYFZJTDKQ-UHFFFAOYSA-N
XLogP-0.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(methoxymethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(methoxymethyl)pyridazin-3-one (CID 131153895) is 6-methoxy-2-(methoxymethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(methoxymethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(methoxymethyl)pyridazin-3-one is COCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-(methoxymethyl)pyridazin-3-one?
The InChIKey is CPSMKCYFZJTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-11-5-9-7(10)4-3-6(8-9)12-2/h3-4H,5H2,1-2H3.
What are the key properties of 6-methoxy-2-(methoxymethyl)pyridazin-3-one?
6-methoxy-2-(methoxymethyl)pyridazin-3-one has a molecular weight of 170.17 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(methoxymethyl)pyridazin-3-one is sourced from PubChem (CID 131153895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).