6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate

C9H10F3N3O3 — CID 141152254

IUPAC6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.O=c1ccnc2n1CC[NH2+]C2
InChIInChI=1S/C7H9N3O.C2HF3O2/c11-7-1-2-9-6-5-8-3-4-10(6)7;3-2(4,5)1(6)7/h1-2,8H,3-5H2;(H,6,7)
InChIKeyJPLBOYYVJOPQOP-UHFFFAOYSA-N
MW265.19 g/mol
LogP-2.38
Rot. Bonds

About 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate

6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate (PubChem CID 141152254) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate
PubChem CID141152254
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.O=c1ccnc2n1CC[NH2+]C2
InChIInChI=1S/C7H9N3O.C2HF3O2/c11-7-1-2-9-6-5-8-3-4-10(6)7;3-2(4,5)1(6)7/h1-2,8H,3-5H2;(H,6,7)
InChIKeyJPLBOYYVJOPQOP-UHFFFAOYSA-N
XLogP-2.38
TPSA91.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate?
The IUPAC name of 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate (CID 141152254) is 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate.
What is the SMILES notation for 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate?
The canonical SMILES for 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.O=c1ccnc2n1CC[NH2+]C2.
What is the InChIKey of 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate?
The InChIKey is JPLBOYYVJOPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2HF3O2/c11-7-1-2-9-6-5-8-3-4-10(6)7;3-2(4,5)1(6)7/h1-2,8H,3-5H2;(H,6,7).
What are the key properties of 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate?
6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate has a molecular weight of 265.19 g/mol, XLogP of -2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-8-ium-4-one;2,2,2-trifluoroacetate is sourced from PubChem (CID 141152254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).