3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine

C13H15BrF2N4 — CID 166793725

IUPAC3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCN(c1ccc2ncc(Br)n2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15BrF2N4/c1-19(9-4-6-13(15,16)7-5-9)12-3-2-11-17-8-10(14)20(11)18-12/h2-3,8-9H,4-7H2,1H3
InChIKeyOZEBKGVHYANVKD-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.51
Rot. Bonds2

About 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine

3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 166793725) has the molecular formula C13H15BrF2N4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID166793725
Molecular FormulaC13H15BrF2N4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCN(c1ccc2ncc(Br)n2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15BrF2N4/c1-19(9-4-6-13(15,16)7-5-9)12-3-2-11-17-8-10(14)20(11)18-12/h2-3,8-9H,4-7H2,1H3
InChIKeyOZEBKGVHYANVKD-UHFFFAOYSA-N
XLogP3.51
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine (CID 166793725) is 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine is CN(c1ccc2ncc(Br)n2n1)C1CCC(F)(F)CC1.
What is the InChIKey of 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is OZEBKGVHYANVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N4/c1-19(9-4-6-13(15,16)7-5-9)12-3-2-11-17-8-10(14)20(11)18-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 345.19 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,4-difluorocyclohexyl)-N-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 166793725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).