6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine

C14H12BrN7 — CID 66632040

IUPAC6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine
SMILESNc1cn2nc(CCc3nnc4ccc(Br)cn34)ccc2n1
InChIInChI=1S/C14H12BrN7/c15-9-1-4-13-18-19-14(21(13)7-9)6-3-10-2-5-12-17-11(16)8-22(12)20-10/h1-2,4-5,7-8H,3,6,16H2
InChIKeyLPRGRBMJSSKNOH-UHFFFAOYSA-N
MW358.20 g/mol
LogP1.90
Rot. Bonds3

About 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine

6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine (PubChem CID 66632040) has the molecular formula C14H12BrN7 and a molecular weight of 358.20 g/mol. Its IUPAC name is 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine
PubChem CID66632040
Molecular FormulaC14H12BrN7
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine
SMILESNc1cn2nc(CCc3nnc4ccc(Br)cn34)ccc2n1
InChIInChI=1S/C14H12BrN7/c15-9-1-4-13-18-19-14(21(13)7-9)6-3-10-2-5-12-17-11(16)8-22(12)20-10/h1-2,4-5,7-8H,3,6,16H2
InChIKeyLPRGRBMJSSKNOH-UHFFFAOYSA-N
XLogP1.90
TPSA86.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine with MolForge

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Related Compounds

4-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 65349371
3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine
CID 65347749
N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine
CID 65347942
6-fluoroimidazo[1,2-b]pyridazin-2-amine
CID 144738334
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
6-bromo-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257133
2-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898760
1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine
CID 65347548
2-amino-2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 65347901
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 150393897
N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 65347892

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine (CID 66632040) is 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine is Nc1cn2nc(CCc3nnc4ccc(Br)cn34)ccc2n1.
What is the InChIKey of 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is LPRGRBMJSSKNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN7/c15-9-1-4-13-18-19-14(21(13)7-9)6-3-10-2-5-12-17-11(16)8-22(12)20-10/h1-2,4-5,7-8H,3,6,16H2.
What are the key properties of 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine?
6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 358.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 66632040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).