ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate

C11H15N3O3 — CID 66965956

IUPACethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate
SMILESCCOC(=O)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H15N3O3/c1-2-17-9(15)6-8-10-7(4-3-5-12-10)11(16)14-13-8/h12H,2-6H2,1H3,(H,14,16)
InChIKeyNEQKHEYFTUWYEA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.23
Rot. Bonds3

About ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate

ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate (PubChem CID 66965956) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate
PubChem CID66965956
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate
SMILESCCOC(=O)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H15N3O3/c1-2-17-9(15)6-8-10-7(4-3-5-12-10)11(16)14-13-8/h12H,2-6H2,1H3,(H,14,16)
InChIKeyNEQKHEYFTUWYEA-UHFFFAOYSA-N
XLogP0.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate?
The IUPAC name of ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate (CID 66965956) is ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate is CCOC(=O)Cc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate?
The InChIKey is NEQKHEYFTUWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-9(15)6-8-10-7(4-3-5-12-10)11(16)14-13-8/h12H,2-6H2,1H3,(H,14,16).
What are the key properties of ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate?
ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate has a molecular weight of 237.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate is sourced from PubChem (CID 66965956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).