1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

C14H14F3N3O — CID 141185810

IUPAC1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCOc1ccccc1-c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)12-10-8-18-6-7-20(10)13(19-12)14(15,16)17/h2-5,18H,6-8H2,1H3
InChIKeyIVALNMYGSVFIBH-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.68
Rot. Bonds2

About 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 141185810) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID141185810
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCOc1ccccc1-c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)12-10-8-18-6-7-20(10)13(19-12)14(15,16)17/h2-5,18H,6-8H2,1H3
InChIKeyIVALNMYGSVFIBH-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 141185810) is 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is COc1ccccc1-c1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is IVALNMYGSVFIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)12-10-8-18-6-7-20(10)13(19-12)14(15,16)17/h2-5,18H,6-8H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 297.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 141185810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).