4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one

C8H12N2O2 — CID 66709278

IUPAC4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCCc1c(O)c(C)nn(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-6-7(11)5(2)9-10(3)8(6)12/h11H,4H2,1-3H3
InChIKeyJRLXOUPIDREKRB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.36
Rot. Bonds1

About 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one

4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one (PubChem CID 66709278) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
PubChem CID66709278
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCCc1c(O)c(C)nn(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-6-7(11)5(2)9-10(3)8(6)12/h11H,4H2,1-3H3
InChIKeyJRLXOUPIDREKRB-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2,6-dimethylpyridazin-3(2H)-one
CID 56604117
5-Hydroxy-2,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 57604831
Carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709277
5-Methoxy-2,4,6-trimethylpyridazin-3-one
CID 91328413
5-Hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one
CID 164745597
5-ethyl-1,6-dihydro-1-methyl-6-oxo-3-Pyridazinecarboxylic acid
CID 83636284

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one (CID 66709278) is 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one is CCc1c(O)c(C)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
The InChIKey is JRLXOUPIDREKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-7(11)5(2)9-10(3)8(6)12/h11H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one?
4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 66709278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).