ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate

C10H11N3O3 — CID 162494493

IUPACethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(C)nc2c1=O
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-11-13-5-6(2)12-9(13)8(7)14/h4-5,11H,3H2,1-2H3
InChIKeyMWZIVUHFFMOABS-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.51
Rot. Bonds2

About ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate

ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494493) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494493
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(C)nc2c1=O
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-11-13-5-6(2)12-9(13)8(7)14/h4-5,11H,3H2,1-2H3
InChIKeyMWZIVUHFFMOABS-UHFFFAOYSA-N
XLogP0.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494484
ethyl 8-methoxy-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-oxo-2-(trifluoromethyl)-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163752253
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
ethyl 8-bromo-2-(3,5-dichlorophenyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-(3,5-dichlorophenyl)-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 163938511
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
CID 139267074
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
CID 171352742
CID 171352742
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 67540522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate (CID 162494493) is ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1c[nH]n2cc(C)nc2c1=O.
What is the InChIKey of ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is MWZIVUHFFMOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-11-13-5-6(2)12-9(13)8(7)14/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).