methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate

C10H10F3N3O2 — CID 141322299

IUPACmethyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)n2c1C(C)=NCC2
InChIInChI=1S/C10H10F3N3O2/c1-5-7-6(8(17)18-2)15-9(10(11,12)13)16(7)4-3-14-5/h3-4H2,1-2H3
InChIKeyGGEXPOQWMZVDND-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.51
Rot. Bonds1

About methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate

methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 141322299) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID141322299
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Namemethyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)n2c1C(C)=NCC2
InChIInChI=1S/C10H10F3N3O2/c1-5-7-6(8(17)18-2)15-9(10(11,12)13)16(7)4-3-14-5/h3-4H2,1-2H3
InChIKeyGGEXPOQWMZVDND-UHFFFAOYSA-N
XLogP1.51
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate (CID 141322299) is methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1nc(C(F)(F)F)n2c1C(C)=NCC2.
What is the InChIKey of methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is GGEXPOQWMZVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-5-7-6(8(17)18-2)15-9(10(11,12)13)16(7)4-3-14-5/h3-4H2,1-2H3.
What are the key properties of methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate?
methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 261.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 141322299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).