7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine

C11H10F3N3O — CID 164537372

IUPAC7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1cc2nccn2nc1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H10F3N3O/c1-18-7-6-8-15-4-5-17(8)16-9(7)10(2-3-10)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyYCXJLFHTRYNFRH-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.33
Rot. Bonds2

About 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine

7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 164537372) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID164537372
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1cc2nccn2nc1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H10F3N3O/c1-18-7-6-8-15-4-5-17(8)16-9(7)10(2-3-10)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyYCXJLFHTRYNFRH-UHFFFAOYSA-N
XLogP2.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine (CID 164537372) is 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine is COc1cc2nccn2nc1C1(C(F)(F)F)CC1.
What is the InChIKey of 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is YCXJLFHTRYNFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-7-6-8-15-4-5-17(8)16-9(7)10(2-3-10)11(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine?
7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 257.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 164537372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).