3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid

C11H10F3N3O3 — CID 67191100

IUPAC3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1nc2ccccc2nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N3O.C2HF3O2/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,11);(H,6,7)
InChIKeySPJDDWGNEXCCEO-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.85
Rot. Bonds1

About 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid

3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 67191100) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID67191100
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1nc2ccccc2nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N3O.C2HF3O2/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,11);(H,6,7)
InChIKeySPJDDWGNEXCCEO-UHFFFAOYSA-N
XLogP1.85
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid (CID 67191100) is 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid is COc1nc2ccccc2nc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is SPJDDWGNEXCCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C2HF3O2/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,11);(H,6,7).
What are the key properties of 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 289.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67191100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).