1-(3,6-dimethylpyridazin-4-yl)ethanone

C8H10N2O — CID 13227326

IUPAC1-(3,6-dimethylpyridazin-4-yl)ethanone
SMILESCC(=O)c1cc(C)nnc1C
InChIInChI=1S/C8H10N2O/c1-5-4-8(7(3)11)6(2)10-9-5/h4H,1-3H3
InChIKeyGOPHTLUTFFNJLI-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.30
Rot. Bonds1

About 1-(3,6-dimethylpyridazin-4-yl)ethanone

1-(3,6-dimethylpyridazin-4-yl)ethanone (PubChem CID 13227326) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)ethanone
PubChem CID13227326
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)ethanone
SMILESCC(=O)c1cc(C)nnc1C
InChIInChI=1S/C8H10N2O/c1-5-4-8(7(3)11)6(2)10-9-5/h4H,1-3H3
InChIKeyGOPHTLUTFFNJLI-UHFFFAOYSA-N
XLogP1.30
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)ethanone?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)ethanone (CID 13227326) is 1-(3,6-dimethylpyridazin-4-yl)ethanone.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)ethanone?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)ethanone is CC(=O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)ethanone?
The InChIKey is GOPHTLUTFFNJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-4-8(7(3)11)6(2)10-9-5/h4H,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)ethanone?
1-(3,6-dimethylpyridazin-4-yl)ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)ethanone is sourced from PubChem (CID 13227326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).