1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C8H9BrF3N3 — CID 178121964

IUPAC1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCN1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIInChI=1S/C8H9BrF3N3/c1-14-2-3-15-5(4-14)6(9)13-7(15)8(10,11)12/h2-4H2,1H3
InChIKeyOSFSUMUPUPLYCV-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.11
Rot. Bonds

About 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 178121964) has the molecular formula C8H9BrF3N3 and a molecular weight of 284.08 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID178121964
Molecular FormulaC8H9BrF3N3
Molecular Weight284.08 g/mol
Exact Mass282.99
IUPAC Name1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCN1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIInChI=1S/C8H9BrF3N3/c1-14-2-3-15-5(4-14)6(9)13-7(15)8(10,11)12/h2-4H2,1H3
InChIKeyOSFSUMUPUPLYCV-UHFFFAOYSA-N
XLogP2.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 178121964) is 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CN1CCn2c(C(F)(F)F)nc(Br)c2C1.
What is the InChIKey of 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is OSFSUMUPUPLYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3/c1-14-2-3-15-5(4-14)6(9)13-7(15)8(10,11)12/h2-4H2,1H3.
What are the key properties of 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 284.08 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 178121964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).