6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine

C15H20BrN3O — CID 79955483

IUPAC6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
SMILESCC1CC(Oc2nc(Br)cn3ccnc23)CC(C)(C)C1
InChIInChI=1S/C15H20BrN3O/c1-10-6-11(8-15(2,3)7-10)20-14-13-17-4-5-19(13)9-12(16)18-14/h4-5,9-11H,6-8H2,1-3H3
InChIKeyNYNVQBOIKWTSDQ-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.09
Rot. Bonds2

About 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine

6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine (PubChem CID 79955483) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
PubChem CID79955483
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
SMILESCC1CC(Oc2nc(Br)cn3ccnc23)CC(C)(C)C1
InChIInChI=1S/C15H20BrN3O/c1-10-6-11(8-15(2,3)7-10)20-14-13-17-4-5-19(13)9-12(16)18-14/h4-5,9-11H,6-8H2,1-3H3
InChIKeyNYNVQBOIKWTSDQ-UHFFFAOYSA-N
XLogP4.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
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-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine (CID 79955483) is 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine is CC1CC(Oc2nc(Br)cn3ccnc23)CC(C)(C)C1.
What is the InChIKey of 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The InChIKey is NYNVQBOIKWTSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10-6-11(8-15(2,3)7-10)20-14-13-17-4-5-19(13)9-12(16)18-14/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine has a molecular weight of 338.25 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).