ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate

C14H18N4O2 — CID 2815688

IUPACethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(N3CCCCC3)ccc2n1
InChIInChI=1S/C14H18N4O2/c1-2-20-14(19)11-10-18-12(15-11)6-7-13(16-18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3
InChIKeyDRQJUHFNNUTWNU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds3

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

ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815688) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815688
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(N3CCCCC3)ccc2n1
InChIInChI=1S/C14H18N4O2/c1-2-20-14(19)11-10-18-12(15-11)6-7-13(16-18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3
InChIKeyDRQJUHFNNUTWNU-UHFFFAOYSA-N
XLogP1.90
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate (CID 2815688) is ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(N3CCCCC3)ccc2n1.
What is the InChIKey of ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is DRQJUHFNNUTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-20-14(19)11-10-18-12(15-11)6-7-13(16-18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-piperidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).