ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate

C15H13N3O3 — CID 2815683

IUPACethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccccc3)ccc2n1
InChIInChI=1S/C15H13N3O3/c1-2-20-15(19)12-10-18-13(16-12)8-9-14(17-18)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyLGCNGDZDVYAXHP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.70
Rot. Bonds4

About ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815683) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815683
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccccc3)ccc2n1
InChIInChI=1S/C15H13N3O3/c1-2-20-15(19)12-10-18-13(16-12)8-9-14(17-18)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyLGCNGDZDVYAXHP-UHFFFAOYSA-N
XLogP2.70
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate (CID 2815683) is ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccccc3)ccc2n1.
What is the InChIKey of ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is LGCNGDZDVYAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-20-15(19)12-10-18-13(16-12)8-9-14(17-18)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenoxyimidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).