6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine

C14H20BrN3O — CID 79955575

IUPAC6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine
SMILESCCCCC(CC)COc1nc(Br)cn2ccnc12
InChIInChI=1S/C14H20BrN3O/c1-3-5-6-11(4-2)10-19-14-13-16-7-8-18(13)9-12(15)17-14/h7-9,11H,3-6,10H2,1-2H3
InChIKeyFAKLXYIMHPEQRL-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.09
Rot. Bonds7

About 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine (PubChem CID 79955575) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine
PubChem CID79955575
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine
SMILESCCCCC(CC)COc1nc(Br)cn2ccnc12
InChIInChI=1S/C14H20BrN3O/c1-3-5-6-11(4-2)10-19-14-13-16-7-8-18(13)9-12(15)17-14/h7-9,11H,3-6,10H2,1-2H3
InChIKeyFAKLXYIMHPEQRL-UHFFFAOYSA-N
XLogP4.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine (CID 79955575) is 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine is CCCCC(CC)COc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine?
The InChIKey is FAKLXYIMHPEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-5-6-11(4-2)10-19-14-13-16-7-8-18(13)9-12(15)17-14/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine has a molecular weight of 326.24 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).