8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine

C15H23N3 — CID 68840997

IUPAC8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCCCC(CCC)c1cc(C)nn2cc(C)nc12
InChIInChI=1S/C15H23N3/c1-5-7-13(8-6-2)14-9-11(3)17-18-10-12(4)16-15(14)18/h9-10,13H,5-8H2,1-4H3
InChIKeyATSBVCPMEOYCGN-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.03
Rot. Bonds5

About 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine

8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine (PubChem CID 68840997) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine
PubChem CID68840997
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine
SMILESCCCC(CCC)c1cc(C)nn2cc(C)nc12
InChIInChI=1S/C15H23N3/c1-5-7-13(8-6-2)14-9-11(3)17-18-10-12(4)16-15(14)18/h9-10,13H,5-8H2,1-4H3
InChIKeyATSBVCPMEOYCGN-UHFFFAOYSA-N
XLogP4.03
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine (CID 68840997) is 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine is CCCC(CCC)c1cc(C)nn2cc(C)nc12.
What is the InChIKey of 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is ATSBVCPMEOYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-7-13(8-6-2)14-9-11(3)17-18-10-12(4)16-15(14)18/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine?
8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 245.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptan-4-yl-2,6-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68840997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).