1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride

C7H8BrClF3N3 — CID 86685644

IUPAC1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nc(Br)c2n1CCNC2
InChIInChI=1S/C7H7BrF3N3.ClH/c8-5-4-3-12-1-2-14(4)6(13-5)7(9,10)11;/h12H,1-3H2;1H
InChIKeyJAIBCSJOXCXCLR-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.19
Rot. Bonds

About 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride

1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride (PubChem CID 86685644) has the molecular formula C7H8BrClF3N3 and a molecular weight of 306.51 g/mol. Its IUPAC name is 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
PubChem CID86685644
Molecular FormulaC7H8BrClF3N3
Molecular Weight306.51 g/mol
Exact Mass304.95
IUPAC Name1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nc(Br)c2n1CCNC2
InChIInChI=1S/C7H7BrF3N3.ClH/c8-5-4-3-12-1-2-14(4)6(13-5)7(9,10)11;/h12H,1-3H2;1H
InChIKeyJAIBCSJOXCXCLR-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride (CID 86685644) is 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride is Cl.FC(F)(F)c1nc(Br)c2n1CCNC2.
What is the InChIKey of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?
The InChIKey is JAIBCSJOXCXCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3.ClH/c8-5-4-3-12-1-2-14(4)6(13-5)7(9,10)11;/h12H,1-3H2;1H.
What are the key properties of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?
1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride has a molecular weight of 306.51 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 86685644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).