1-(3,6-dimethylpyridazin-4-yl)butan-1-one

C10H14N2O — CID 105076973

IUPAC1-(3,6-dimethylpyridazin-4-yl)butan-1-one
SMILESCCCC(=O)c1cc(C)nnc1C
InChIInChI=1S/C10H14N2O/c1-4-5-10(13)9-6-7(2)11-12-8(9)3/h6H,4-5H2,1-3H3
InChIKeyUXNBNCGQBRTYTF-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.08
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)butan-1-one

1-(3,6-dimethylpyridazin-4-yl)butan-1-one (PubChem CID 105076973) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)butan-1-one
PubChem CID105076973
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)butan-1-one
SMILESCCCC(=O)c1cc(C)nnc1C
InChIInChI=1S/C10H14N2O/c1-4-5-10(13)9-6-7(2)11-12-8(9)3/h6H,4-5H2,1-3H3
InChIKeyUXNBNCGQBRTYTF-UHFFFAOYSA-N
XLogP2.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.08
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)butan-1-one?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)butan-1-one (CID 105076973) is 1-(3,6-dimethylpyridazin-4-yl)butan-1-one.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)butan-1-one?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)butan-1-one is CCCC(=O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)butan-1-one?
The InChIKey is UXNBNCGQBRTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-5-10(13)9-6-7(2)11-12-8(9)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)butan-1-one?
1-(3,6-dimethylpyridazin-4-yl)butan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.08, 3 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)butan-1-one is sourced from PubChem (CID 105076973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).