3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one

C12H11N3O3 — CID 59436177

IUPAC3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
SMILESCOc1cn(-c2cccnc2)nc(C(C)=O)c1=O
InChIInChI=1S/C12H11N3O3/c1-8(16)11-12(17)10(18-2)7-15(14-11)9-4-3-5-13-6-9/h3-7H,1-2H3
InChIKeyGKAKQFTXUOZVJN-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.84
Rot. Bonds3

About 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one

3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one (PubChem CID 59436177) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
PubChem CID59436177
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
SMILESCOc1cn(-c2cccnc2)nc(C(C)=O)c1=O
InChIInChI=1S/C12H11N3O3/c1-8(16)11-12(17)10(18-2)7-15(14-11)9-4-3-5-13-6-9/h3-7H,1-2H3
InChIKeyGKAKQFTXUOZVJN-UHFFFAOYSA-N
XLogP0.84
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one?
The IUPAC name of 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one (CID 59436177) is 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one.
What is the SMILES notation for 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one?
The canonical SMILES for 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one is COc1cn(-c2cccnc2)nc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one?
The InChIKey is GKAKQFTXUOZVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8(16)11-12(17)10(18-2)7-15(14-11)9-4-3-5-13-6-9/h3-7H,1-2H3.
What are the key properties of 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one?
3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one has a molecular weight of 245.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one is sourced from PubChem (CID 59436177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).