6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine

C14H18BrN3O — CID 79955302

IUPAC6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
SMILESCC1CCC(Oc2nc(Br)cn3ccnc23)CC1C
InChIInChI=1S/C14H18BrN3O/c1-9-3-4-11(7-10(9)2)19-14-13-16-5-6-18(13)8-12(15)17-14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyMLMHXROCWXDFEA-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.70
Rot. Bonds2

About 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine

6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine (PubChem CID 79955302) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
PubChem CID79955302
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
SMILESCC1CCC(Oc2nc(Br)cn3ccnc23)CC1C
InChIInChI=1S/C14H18BrN3O/c1-9-3-4-11(7-10(9)2)19-14-13-16-5-6-18(13)8-12(15)17-14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyMLMHXROCWXDFEA-UHFFFAOYSA-N
XLogP3.70
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine (CID 79955302) is 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine is CC1CCC(Oc2nc(Br)cn3ccnc23)CC1C.
What is the InChIKey of 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The InChIKey is MLMHXROCWXDFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-9-3-4-11(7-10(9)2)19-14-13-16-5-6-18(13)8-12(15)17-14/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine has a molecular weight of 324.22 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).