ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate

C16H12N4O3 — CID 2815682

IUPACethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C16H12N4O3/c1-2-22-16(21)13-10-20-14(18-13)7-8-15(19-20)23-12-5-3-11(9-17)4-6-12/h3-8,10H,2H2,1H3
InChIKeyLLMMIOUQKYKLSI-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.57
Rot. Bonds4

About ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815682) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815682
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Nameethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C16H12N4O3/c1-2-22-16(21)13-10-20-14(18-13)7-8-15(19-20)23-12-5-3-11(9-17)4-6-12/h3-8,10H,2H2,1H3
InChIKeyLLMMIOUQKYKLSI-UHFFFAOYSA-N
XLogP2.57
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815682) is ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccc(C#N)cc3)ccc2n1.
What is the InChIKey of ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is LLMMIOUQKYKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-2-22-16(21)13-10-20-14(18-13)7-8-15(19-20)23-12-5-3-11(9-17)4-6-12/h3-8,10H,2H2,1H3.
What are the key properties of ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 308.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-cyanophenoxy)imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).