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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Related Compounds

N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419553
5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine
CID 174276108
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
3-bromo-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 82388154
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 169237116
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine
CID 130047301
3-bromo-6-tert-butylimidazo[1,2-b]pyridazine
CID 116854650
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 55137155
N-methyl-3-(1-methylindazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 166793924
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
CID 130047290

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).