6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid

C11H10F3N3O2 — CID 66724598

IUPAC6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(N)cnc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N3.C2HF3O2/c1-6-2-3-7-8(4-6)11-5-9(10)12-7;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,12);(H,6,7)
InChIKeyQOBXQIQOGCQMTH-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.15
Rot. Bonds

About 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid

6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 66724598) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID66724598
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(N)cnc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N3.C2HF3O2/c1-6-2-3-7-8(4-6)11-5-9(10)12-7;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,12);(H,6,7)
InChIKeyQOBXQIQOGCQMTH-UHFFFAOYSA-N
XLogP2.15
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44581675
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CID 52932002
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CID 141512498
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CID 10070972
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CID 155920421
CID 155920421

Frequently Asked Questions

What is the IUPAC name of 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid (CID 66724598) is 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid is Cc1ccc2nc(N)cnc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QOBXQIQOGCQMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C2HF3O2/c1-6-2-3-7-8(4-6)11-5-9(10)12-7;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,12);(H,6,7).
What are the key properties of 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 273.21 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66724598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).