2,3-ditert-butylimidazo[1,2-b]pyridazine

C14H21N3 — CID 71288892

IUPAC2,3-ditert-butylimidazo[1,2-b]pyridazine
SMILESCC(C)(C)c1nc2cccnn2c1C(C)(C)C
InChIInChI=1S/C14H21N3/c1-13(2,3)11-12(14(4,5)6)17-10(16-11)8-7-9-15-17/h7-9H,1-6H3
InChIKeyPXMPJDIFPYJQLA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.32
Rot. Bonds

About 2,3-ditert-butylimidazo[1,2-b]pyridazine

2,3-ditert-butylimidazo[1,2-b]pyridazine (PubChem CID 71288892) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,3-ditert-butylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-ditert-butylimidazo[1,2-b]pyridazine
PubChem CID71288892
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,3-ditert-butylimidazo[1,2-b]pyridazine
SMILESCC(C)(C)c1nc2cccnn2c1C(C)(C)C
InChIInChI=1S/C14H21N3/c1-13(2,3)11-12(14(4,5)6)17-10(16-11)8-7-9-15-17/h7-9H,1-6H3
InChIKeyPXMPJDIFPYJQLA-UHFFFAOYSA-N
XLogP3.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylimidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-ditert-butylimidazo[1,2-b]pyridazine (CID 71288892) is 2,3-ditert-butylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-ditert-butylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-ditert-butylimidazo[1,2-b]pyridazine is CC(C)(C)c1nc2cccnn2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylimidazo[1,2-b]pyridazine?
The InChIKey is PXMPJDIFPYJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-13(2,3)11-12(14(4,5)6)17-10(16-11)8-7-9-15-17/h7-9H,1-6H3.
What are the key properties of 2,3-ditert-butylimidazo[1,2-b]pyridazine?
2,3-ditert-butylimidazo[1,2-b]pyridazine has a molecular weight of 231.34 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 71288892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).