6-acetyl-2-ethylpyridazin-3-one

C8H10N2O2 — CID 82442230

IUPAC6-acetyl-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)=O)ccc1=O
InChIInChI=1S/C8H10N2O2/c1-3-10-8(12)5-4-7(9-10)6(2)11/h4-5H,3H2,1-2H3
InChIKeyYRNWVANZSDPTJC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.47
Rot. Bonds2

About 6-acetyl-2-ethylpyridazin-3-one

6-acetyl-2-ethylpyridazin-3-one (PubChem CID 82442230) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-acetyl-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-acetyl-2-ethylpyridazin-3-one
PubChem CID82442230
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-acetyl-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)=O)ccc1=O
InChIInChI=1S/C8H10N2O2/c1-3-10-8(12)5-4-7(9-10)6(2)11/h4-5H,3H2,1-2H3
InChIKeyYRNWVANZSDPTJC-UHFFFAOYSA-N
XLogP0.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one
CID 164638868
2-(2-Fluoroethyl)-6-methylpyridazin-3-one
CID 59803334
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
2-Ethyl-6-methylpyridazin-3-one
CID 12504075
6-Methyl-2-propylpyridazin-3-one
CID 12504076
2-Butyl-6-methylpyridazin-3-one
CID 12758398
6-Methyl-2-(3-oxobutan-2-yl)pyridazin-3-one
CID 57907431
6-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 58336912
2,6-Di(propan-2-yl)pyridazin-3-one
CID 58748005
CID 59303766
CID 59303766

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-ethylpyridazin-3-one?
The IUPAC name of 6-acetyl-2-ethylpyridazin-3-one (CID 82442230) is 6-acetyl-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-acetyl-2-ethylpyridazin-3-one?
The canonical SMILES for 6-acetyl-2-ethylpyridazin-3-one is CCn1nc(C(C)=O)ccc1=O.
What is the InChIKey of 6-acetyl-2-ethylpyridazin-3-one?
The InChIKey is YRNWVANZSDPTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-10-8(12)5-4-7(9-10)6(2)11/h4-5H,3H2,1-2H3.
What are the key properties of 6-acetyl-2-ethylpyridazin-3-one?
6-acetyl-2-ethylpyridazin-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).