ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate

C10H11N3O3 — CID 165392980

IUPACethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(=O)[nH]ncc21
InChIInChI=1S/C10H11N3O3/c1-2-16-9(14)6-13-4-3-7-8(13)5-11-12-10(7)15/h3-5H,2,6H2,1H3,(H,12,15)
InChIKeyQPRJVGOJOSEDPX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.29
Rot. Bonds3

About ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate

ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate (PubChem CID 165392980) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
PubChem CID165392980
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(=O)[nH]ncc21
InChIInChI=1S/C10H11N3O3/c1-2-16-9(14)6-13-4-3-7-8(13)5-11-12-10(7)15/h3-5H,2,6H2,1H3,(H,12,15)
InChIKeyQPRJVGOJOSEDPX-UHFFFAOYSA-N
XLogP0.29
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate (CID 165392980) is ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate is CCOC(=O)Cn1ccc2c(=O)[nH]ncc21.
What is the InChIKey of ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate?
The InChIKey is QPRJVGOJOSEDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-2-16-9(14)6-13-4-3-7-8(13)5-11-12-10(7)15/h3-5H,2,6H2,1H3,(H,12,15).
What are the key properties of ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate?
ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate has a molecular weight of 221.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate is sourced from PubChem (CID 165392980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).