1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C15H15F3N2 — CID 19095346

IUPAC1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCC1NCCn2c(-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C15H15F3N2/c1-10-13-6-7-14(20(13)9-8-19-10)11-2-4-12(5-3-11)15(16,17)18/h2-7,10,19H,8-9H2,1H3
InChIKeyQJHQYGIPULVWJC-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.84
Rot. Bonds1

About 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 19095346) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID19095346
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCC1NCCn2c(-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C15H15F3N2/c1-10-13-6-7-14(20(13)9-8-19-10)11-2-4-12(5-3-11)15(16,17)18/h2-7,10,19H,8-9H2,1H3
InChIKeyQJHQYGIPULVWJC-UHFFFAOYSA-N
XLogP3.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 19095346) is 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is CC1NCCn2c(-c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is QJHQYGIPULVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-13-6-7-14(20(13)9-8-19-10)11-2-4-12(5-3-11)15(16,17)18/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 280.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 19095346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).