ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate

C10H10N2O3 — CID 10104421

IUPACethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2cccc2c1=O
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)7-6-11-12-5-3-4-8(12)9(7)13/h3-6,11H,2H2,1H3
InChIKeyQYBQPBAYKVUDSU-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.80
Rot. Bonds2

About ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 10104421) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID10104421
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2cccc2c1=O
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)7-6-11-12-5-3-4-8(12)9(7)13/h3-6,11H,2H2,1H3
InChIKeyQYBQPBAYKVUDSU-UHFFFAOYSA-N
XLogP0.80
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate (CID 10104421) is ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c[nH]n2cccc2c1=O.
What is the InChIKey of ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is QYBQPBAYKVUDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-10(14)7-6-11-12-5-3-4-8(12)9(7)13/h3-6,11H,2H2,1H3.
What are the key properties of ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 10104421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).