[3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine

C14H13BrN4O — CID 116821814

IUPAC[3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
SMILESCOc1ccc(-c2ccc3nc(CN)c(Br)n3n2)cc1
InChIInChI=1S/C14H13BrN4O/c1-20-10-4-2-9(3-5-10)11-6-7-13-17-12(8-16)14(15)19(13)18-11/h2-7H,8,16H2,1H3
InChIKeyVTECUNPXHIALBI-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.63
Rot. Bonds3

About [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine

[3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine (PubChem CID 116821814) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
PubChem CID116821814
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name[3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
SMILESCOc1ccc(-c2ccc3nc(CN)c(Br)n3n2)cc1
InChIInChI=1S/C14H13BrN4O/c1-20-10-4-2-9(3-5-10)11-6-7-13-17-12(8-16)14(15)19(13)18-11/h2-7H,8,16H2,1H3
InChIKeyVTECUNPXHIALBI-UHFFFAOYSA-N
XLogP2.63
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)imidazo[1,5-b]pyridazin-5-yl]methanamine
CID 82381282
6-(4-methoxyphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217443
3-[(4-bromophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 40982270
3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854941
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912632
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271228
6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 19238090
1-(4-methoxyphenyl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone
CID 7531469

Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The IUPAC name of [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine (CID 116821814) is [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine.
What is the SMILES notation for [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The canonical SMILES for [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine is COc1ccc(-c2ccc3nc(CN)c(Br)n3n2)cc1.
What is the InChIKey of [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The InChIKey is VTECUNPXHIALBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-20-10-4-2-9(3-5-10)11-6-7-13-17-12(8-16)14(15)19(13)18-11/h2-7H,8,16H2,1H3.
What are the key properties of [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
[3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine has a molecular weight of 333.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine is sourced from PubChem (CID 116821814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).