1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate

C16H22BrN3O3 — CID 71074993

IUPAC1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
SMILESCCOC(C)=O.Cc1nccn2c(C3CCOCC3)nc(Br)c12
InChIInChI=1S/C12H14BrN3O.C4H8O2/c1-8-10-11(13)15-12(16(10)5-4-14-8)9-2-6-17-7-3-9;1-3-6-4(2)5/h4-5,9H,2-3,6-7H2,1H3;3H2,1-2H3
InChIKeyOUPJUWMOLGCPTE-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.26
Rot. Bonds2

About 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate

1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate (PubChem CID 71074993) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate.

Molecular Properties

Compound Name1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
PubChem CID71074993
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Name1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
SMILESCCOC(C)=O.Cc1nccn2c(C3CCOCC3)nc(Br)c12
InChIInChI=1S/C12H14BrN3O.C4H8O2/c1-8-10-11(13)15-12(16(10)5-4-14-8)9-2-6-17-7-3-9;1-3-6-4(2)5/h4-5,9H,2-3,6-7H2,1H3;3H2,1-2H3
InChIKeyOUPJUWMOLGCPTE-UHFFFAOYSA-N
XLogP3.26
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate?
The IUPAC name of 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate (CID 71074993) is 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate.
What is the SMILES notation for 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate?
The canonical SMILES for 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate is CCOC(C)=O.Cc1nccn2c(C3CCOCC3)nc(Br)c12.
What is the InChIKey of 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate?
The InChIKey is OUPJUWMOLGCPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O.C4H8O2/c1-8-10-11(13)15-12(16(10)5-4-14-8)9-2-6-17-7-3-9;1-3-6-4(2)5/h4-5,9H,2-3,6-7H2,1H3;3H2,1-2H3.
What are the key properties of 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate?
1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate has a molecular weight of 384.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate is sourced from PubChem (CID 71074993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).