2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C16H14F3N3O — CID 144734754

IUPAC2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C
InChIInChI=1S/C16H14F3N3O/c1-9-8-13(21-22-11(3)10(2)20-15(9)22)12-6-4-5-7-14(12)23-16(17,18)19/h4-8H,1-3H3
InChIKeyUXPBTVAWYCMMTQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.22
Rot. Bonds2

About 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 144734754) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID144734754
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C
InChIInChI=1S/C16H14F3N3O/c1-9-8-13(21-22-11(3)10(2)20-15(9)22)12-6-4-5-7-14(12)23-16(17,18)19/h4-8H,1-3H3
InChIKeyUXPBTVAWYCMMTQ-UHFFFAOYSA-N
XLogP4.22
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 144734754) is 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C.
What is the InChIKey of 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is UXPBTVAWYCMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-9-8-13(21-22-11(3)10(2)20-15(9)22)12-6-4-5-7-14(12)23-16(17,18)19/h4-8H,1-3H3.
What are the key properties of 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 321.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 144734754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).