ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate

C9H9N3O3 — CID 131439618

IUPACethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2[nH]c(=O)ccc2n1
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-12-7(10-6)3-4-8(13)11-12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyIRKFHIHFAUBDRT-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.20
Rot. Bonds2

About ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 131439618) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID131439618
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Nameethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2[nH]c(=O)ccc2n1
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-12-7(10-6)3-4-8(13)11-12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyIRKFHIHFAUBDRT-UHFFFAOYSA-N
XLogP0.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
ethyl 2-sulfanylidene-3H-imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate
CID 139652055
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 3-bromo-2-oxopropanoate;ethyl 6-formylimidazo[1,2-a]pyridine-2-carboxylate
CID 159035617

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate (CID 131439618) is ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2[nH]c(=O)ccc2n1.
What is the InChIKey of ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is IRKFHIHFAUBDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-12-7(10-6)3-4-8(13)11-12/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 131439618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).