6-acetyl-5-methoxy-2-methylpyridazin-3-one

C8H10N2O3 — CID 58072223

IUPAC6-acetyl-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-5(11)8-6(13-3)4-7(12)10(2)9-8/h4H,1-3H3
InChIKeyZOUXREUUSIYAEI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.01
Rot. Bonds2

About 6-acetyl-5-methoxy-2-methylpyridazin-3-one

6-acetyl-5-methoxy-2-methylpyridazin-3-one (PubChem CID 58072223) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-acetyl-5-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-acetyl-5-methoxy-2-methylpyridazin-3-one
PubChem CID58072223
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-acetyl-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-5(11)8-6(13-3)4-7(12)10(2)9-8/h4H,1-3H3
InChIKeyZOUXREUUSIYAEI-UHFFFAOYSA-N
XLogP-0.01
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 6-acetyl-5-methoxy-2-methylpyridazin-3-one (CID 58072223) is 6-acetyl-5-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-acetyl-5-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-acetyl-5-methoxy-2-methylpyridazin-3-one is COc1cc(=O)n(C)nc1C(C)=O.
What is the InChIKey of 6-acetyl-5-methoxy-2-methylpyridazin-3-one?
The InChIKey is ZOUXREUUSIYAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(11)8-6(13-3)4-7(12)10(2)9-8/h4H,1-3H3.
What are the key properties of 6-acetyl-5-methoxy-2-methylpyridazin-3-one?
6-acetyl-5-methoxy-2-methylpyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 58072223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).