1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one

C7H6F3N3O — CID 126836808

IUPAC1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
SMILESO=C1NCCn2cnc(C(F)(F)F)c21
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5-4-6(14)11-1-2-13(4)3-12-5/h3H,1-2H2,(H,11,14)
InChIKeyOTAWIKRORPHYRK-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.65
Rot. Bonds

About 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one

1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 126836808) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
PubChem CID126836808
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
SMILESO=C1NCCn2cnc(C(F)(F)F)c21
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5-4-6(14)11-1-2-13(4)3-12-5/h3H,1-2H2,(H,11,14)
InChIKeyOTAWIKRORPHYRK-UHFFFAOYSA-N
XLogP0.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one (CID 126836808) is 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one is O=C1NCCn2cnc(C(F)(F)F)c21.
What is the InChIKey of 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is OTAWIKRORPHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)5-4-6(14)11-1-2-13(4)3-12-5/h3H,1-2H2,(H,11,14).
What are the key properties of 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one?
1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 205.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 126836808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).