3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine

C13H18BrN5 — CID 169237116

IUPAC3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESC[C@@H]1CN(c2ccc3ncc(Br)n3n2)C[C@H](C)N1C
InChIInChI=1S/C13H18BrN5/c1-9-7-18(8-10(2)17(9)3)13-5-4-12-15-6-11(14)19(12)16-13/h4-6,9-10H,7-8H2,1-3H3/t9-,10+
InChIKeyXGICIDUBCVHKIJ-AOOOYVTPSA-N
MW324.23 g/mol
LogP2.02
Rot. Bonds1

About 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine

3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 169237116) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID169237116
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESC[C@@H]1CN(c2ccc3ncc(Br)n3n2)C[C@H](C)N1C
InChIInChI=1S/C13H18BrN5/c1-9-7-18(8-10(2)17(9)3)13-5-4-12-15-6-11(14)19(12)16-13/h4-6,9-10H,7-8H2,1-3H3/t9-,10+
InChIKeyXGICIDUBCVHKIJ-AOOOYVTPSA-N
XLogP2.02
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine (CID 169237116) is 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine is C[C@@H]1CN(c2ccc3ncc(Br)n3n2)C[C@H](C)N1C.
What is the InChIKey of 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is XGICIDUBCVHKIJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-9-7-18(8-10(2)17(9)3)13-5-4-12-15-6-11(14)19(12)16-13/h4-6,9-10H,7-8H2,1-3H3/t9-,10+.
What are the key properties of 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 324.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 169237116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).