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

C8H10N2O3 — CID 105061855

IUPAC6-methoxy-2-(2-oxopropyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)=O)n1
InChIInChI=1S/C8H10N2O3/c1-6(11)5-10-8(12)4-3-7(9-10)13-2/h3-4H,5H2,1-2H3
InChIKeyXHKPMUCFKQCBKT-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.16
Rot. Bonds3

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

6-methoxy-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 105061855) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-methoxy-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-oxopropyl)pyridazin-3-one
PubChem CID105061855
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-methoxy-2-(2-oxopropyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)=O)n1
InChIInChI=1S/C8H10N2O3/c1-6(11)5-10-8(12)4-3-7(9-10)13-2/h3-4H,5H2,1-2H3
InChIKeyXHKPMUCFKQCBKT-UHFFFAOYSA-N
XLogP-0.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-oxopropyl)pyridazin-3-one (CID 105061855) is 6-methoxy-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-oxopropyl)pyridazin-3-one is COc1ccc(=O)n(CC(C)=O)n1.
What is the InChIKey of 6-methoxy-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is XHKPMUCFKQCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(11)5-10-8(12)4-3-7(9-10)13-2/h3-4H,5H2,1-2H3.
What are the key properties of 6-methoxy-2-(2-oxopropyl)pyridazin-3-one?
6-methoxy-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 105061855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).