ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate

C12H13N3O2 — CID 155456630

IUPACethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2ccnc2c1C1CC1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)9-7-14-15-6-5-13-11(15)10(9)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyYHGKMUMPZFDXEY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds3

About ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate

ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 155456630) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID155456630
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2ccnc2c1C1CC1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)9-7-14-15-6-5-13-11(15)10(9)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyYHGKMUMPZFDXEY-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
CID 58861331
ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682366
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4777079
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate (CID 155456630) is ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2ccnc2c1C1CC1.
What is the InChIKey of ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is YHGKMUMPZFDXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-12(16)9-7-14-15-6-5-13-11(15)10(9)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 155456630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).