ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate

C11H14N2O3 — CID 15307848

IUPACethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(C)nnc(C)c1C(C)=O
InChIInChI=1S/C11H14N2O3/c1-5-16-11(15)10-7(3)13-12-6(2)9(10)8(4)14/h5H2,1-4H3
InChIKeyNMFNPHARMZJBHP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.47
Rot. Bonds3

About ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate

ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate (PubChem CID 15307848) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
PubChem CID15307848
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(C)nnc(C)c1C(C)=O
InChIInChI=1S/C11H14N2O3/c1-5-16-11(15)10-7(3)13-12-6(2)9(10)8(4)14/h5H2,1-4H3
InChIKeyNMFNPHARMZJBHP-UHFFFAOYSA-N
XLogP1.47
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
1-(5-ethyl-3,6-dimethylpyridazin-4-yl)ethanone
CID 155452102
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
CID 24973251
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
ethyl 4-acetyl-2,3,6-trimethoxy-5-methylbenzoate
CID 87118244
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
CID 10657654
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
CID 4126248
ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486
ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate (CID 15307848) is ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate is CCOC(=O)c1c(C)nnc(C)c1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate?
The InChIKey is NMFNPHARMZJBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-5-16-11(15)10-7(3)13-12-6(2)9(10)8(4)14/h5H2,1-4H3.
What are the key properties of ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate?
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate is sourced from PubChem (CID 15307848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).