1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one

C11H16N2O — CID 105077034

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one
SMILESCCCC(=O)c1cc(C)nnc1CC
InChIInChI=1S/C11H16N2O/c1-4-6-11(14)9-7-8(3)12-13-10(9)5-2/h7H,4-6H2,1-3H3
InChIKeyHPPVIAOICOEYEH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one

1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one (PubChem CID 105077034) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one
PubChem CID105077034
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one
SMILESCCCC(=O)c1cc(C)nnc1CC
InChIInChI=1S/C11H16N2O/c1-4-6-11(14)9-7-8(3)12-13-10(9)5-2/h7H,4-6H2,1-3H3
InChIKeyHPPVIAOICOEYEH-UHFFFAOYSA-N
XLogP2.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one (CID 105077034) is 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one is CCCC(=O)c1cc(C)nnc1CC.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one?
The InChIKey is HPPVIAOICOEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-6-11(14)9-7-8(3)12-13-10(9)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one?
1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-one is sourced from PubChem (CID 105077034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).