5-acetyl-4-amino-2,6-dimethylpyridazin-3-one

C8H11N3O2 — CID 3824593

IUPAC5-acetyl-4-amino-2,6-dimethylpyridazin-3-one
SMILESCC(=O)c1c(C)nn(C)c(=O)c1N
InChIInChI=1S/C8H11N3O2/c1-4-6(5(2)12)7(9)8(13)11(3)10-4/h9H2,1-3H3
InChIKeyZFURXMSDWGJQLU-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.13
Rot. Bonds1

About 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one

5-acetyl-4-amino-2,6-dimethylpyridazin-3-one (PubChem CID 3824593) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-amino-2,6-dimethylpyridazin-3-one
PubChem CID3824593
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-acetyl-4-amino-2,6-dimethylpyridazin-3-one
SMILESCC(=O)c1c(C)nn(C)c(=O)c1N
InChIInChI=1S/C8H11N3O2/c1-4-6(5(2)12)7(9)8(13)11(3)10-4/h9H2,1-3H3
InChIKeyZFURXMSDWGJQLU-UHFFFAOYSA-N
XLogP-0.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
CID 143368389
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
carbonic acid;4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709277
4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709278
1-(3,5-dimethyl-1-phosphanylpyrazol-4-yl)ethanone
CID 90180455
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
CID 103970874
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
5-chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 122158432
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one (CID 3824593) is 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one is CC(=O)c1c(C)nn(C)c(=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one?
The InChIKey is ZFURXMSDWGJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6(5(2)12)7(9)8(13)11(3)10-4/h9H2,1-3H3.
What are the key properties of 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one?
5-acetyl-4-amino-2,6-dimethylpyridazin-3-one has a molecular weight of 181.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 3824593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).