2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine

C9H9F2N3 — CID 123378587

IUPAC2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine
SMILESCc1ccc2nc(C(F)F)c(C)n2n1
InChIInChI=1S/C9H9F2N3/c1-5-3-4-7-12-8(9(10)11)6(2)14(7)13-5/h3-4,9H,1-2H3
InChIKeyKVQOEZRAFAXQOG-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.28
Rot. Bonds1

About 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine

2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine (PubChem CID 123378587) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine
PubChem CID123378587
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine
SMILESCc1ccc2nc(C(F)F)c(C)n2n1
InChIInChI=1S/C9H9F2N3/c1-5-3-4-7-12-8(9(10)11)6(2)14(7)13-5/h3-4,9H,1-2H3
InChIKeyKVQOEZRAFAXQOG-UHFFFAOYSA-N
XLogP2.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine (CID 123378587) is 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine is Cc1ccc2nc(C(F)F)c(C)n2n1.
What is the InChIKey of 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is KVQOEZRAFAXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-3-4-7-12-8(9(10)11)6(2)14(7)13-5/h3-4,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine?
2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 197.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,6-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 123378587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).