1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid

C10H11F3N2O4 — CID 170913973

IUPAC1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccn2c1CNCC2
InChIInChI=1S/C8H10N2O2.C2HF3O2/c11-8(12)6-1-3-10-4-2-9-5-7(6)10;3-2(4,5)1(6)7/h1,3,9H,2,4-5H2,(H,11,12);(H,6,7)
InChIKeyPOSPNBDFTAZENV-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.92
Rot. Bonds1

About 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid

1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 170913973) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID170913973
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccn2c1CNCC2
InChIInChI=1S/C8H10N2O2.C2HF3O2/c11-8(12)6-1-3-10-4-2-9-5-7(6)10;3-2(4,5)1(6)7/h1,3,9H,2,4-5H2,(H,11,12);(H,6,7)
InChIKeyPOSPNBDFTAZENV-UHFFFAOYSA-N
XLogP0.92
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid (CID 170913973) is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1ccn2c1CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is POSPNBDFTAZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2HF3O2/c11-8(12)6-1-3-10-4-2-9-5-7(6)10;3-2(4,5)1(6)7/h1,3,9H,2,4-5H2,(H,11,12);(H,6,7).
What are the key properties of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid?
1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 280.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170913973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).