ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate

C9H12N2O3 — CID 155796907

IUPACethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate
SMILESCCOC(=O)Cc1cnn(C)c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-3-14-9(13)5-7-4-8(12)11(2)10-6-7/h4,6H,3,5H2,1-2H3
InChIKeyPYFGXMDOVYNYSL-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.11
Rot. Bonds3

About ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate

ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate (PubChem CID 155796907) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate
PubChem CID155796907
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate
SMILESCCOC(=O)Cc1cnn(C)c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-3-14-9(13)5-7-4-8(12)11(2)10-6-7/h4,6H,3,5H2,1-2H3
InChIKeyPYFGXMDOVYNYSL-UHFFFAOYSA-N
XLogP-0.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-methyl-6-oxo-3-pyridinyl)acetate
CID 131699985
ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
ethyl 2-phenylacetate
CID 7590
ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098329
ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
CID 167584122
ethyl 2-(2-methylindazol-5-yl)acetate
CID 155343728
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-amino-3-(aminomethyl)phenyl]acetate
CID 174585118
ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
CID 177191307
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate (CID 155796907) is ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate is CCOC(=O)Cc1cnn(C)c(=O)c1.
What is the InChIKey of ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate?
The InChIKey is PYFGXMDOVYNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-9(13)5-7-4-8(12)11(2)10-6-7/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate?
ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate is sourced from PubChem (CID 155796907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).