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

C8H10F3N3 — CID 76849746

IUPAC1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H10F3N3/c1-5-6-4-12-2-3-14(6)7(13-5)8(9,10)11/h12H,2-4H2,1H3
InChIKeyAPNVZESAXVYING-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.31
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 76849746) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID76849746
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H10F3N3/c1-5-6-4-12-2-3-14(6)7(13-5)8(9,10)11/h12H,2-4H2,1H3
InChIKeyAPNVZESAXVYING-UHFFFAOYSA-N
XLogP1.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 76849746) is 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is Cc1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is APNVZESAXVYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-6-4-12-2-3-14(6)7(13-5)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 205.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 76849746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).