ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate

C8H10N2O4 — CID 28888360

IUPACethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-8(13)5-10-7(12)4-3-6(11)9-10/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyYDRVEVGIRWWIOF-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.90
Rot. Bonds3

About ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate

ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate (PubChem CID 28888360) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
PubChem CID28888360
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-8(13)5-10-7(12)4-3-6(11)9-10/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyYDRVEVGIRWWIOF-UHFFFAOYSA-N
XLogP-0.90
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The IUPAC name of ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate (CID 28888360) is ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is CCOC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The InChIKey is YDRVEVGIRWWIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-8(13)5-10-7(12)4-3-6(11)9-10/h3-4H,2,5H2,1H3,(H,9,11).
What are the key properties of ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is sourced from PubChem (CID 28888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).