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

C8H10N2O3 — CID 45496282

IUPACethyl 2-(6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-2-13-8(12)6-10-7(11)4-3-5-9-10/h3-5H,2,6H2,1H3
InChIKeyZIRHWJVYWVLEGC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.19
Rot. Bonds3

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

ethyl 2-(6-oxopyridazin-1-yl)acetate (PubChem CID 45496282) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 2-(6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxopyridazin-1-yl)acetate
PubChem CID45496282
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-(6-oxopyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-2-13-8(12)6-10-7(11)4-3-5-9-10/h3-5H,2,6H2,1H3
InChIKeyZIRHWJVYWVLEGC-UHFFFAOYSA-N
XLogP-0.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxopyridazin-1-yl)acetate (CID 45496282) is ethyl 2-(6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxopyridazin-1-yl)acetate is CCOC(=O)Cn1ncccc1=O.
What is the InChIKey of ethyl 2-(6-oxopyridazin-1-yl)acetate?
The InChIKey is ZIRHWJVYWVLEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-8(12)6-10-7(11)4-3-5-9-10/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(6-oxopyridazin-1-yl)acetate?
ethyl 2-(6-oxopyridazin-1-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 45496282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).