1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone

C10H14N2O — CID 155452102

IUPAC1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone
SMILESCCc1c(C)nnc(C)c1C(C)=O
InChIInChI=1S/C10H14N2O/c1-5-9-6(2)11-12-7(3)10(9)8(4)13/h5H2,1-4H3
InChIKeyAWCPNHWPZNNJAE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.86
Rot. Bonds2

About 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone

1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone (PubChem CID 155452102) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone
PubChem CID155452102
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone
SMILESCCc1c(C)nnc(C)c1C(C)=O
InChIInChI=1S/C10H14N2O/c1-5-9-6(2)11-12-7(3)10(9)8(4)13/h5H2,1-4H3
InChIKeyAWCPNHWPZNNJAE-UHFFFAOYSA-N
XLogP1.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone (CID 155452102) is 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone is CCc1c(C)nnc(C)c1C(C)=O.
What is the InChIKey of 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone?
The InChIKey is AWCPNHWPZNNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-9-6(2)11-12-7(3)10(9)8(4)13/h5H2,1-4H3.
What are the key properties of 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone?
1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone is sourced from PubChem (CID 155452102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).