1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid

C7H10F3N3O3 — CID 138677155

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCc1nnc(C(C)N)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N3O.C2HF3O2/c1-3(6)5-8-7-4(2)9-5;3-2(4,5)1(6)7/h3H,6H2,1-2H3;(H,6,7)
InChIKeyPIXQUXFNUIFVTL-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.03
Rot. Bonds1

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 138677155) has the molecular formula C7H10F3N3O3 and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
PubChem CID138677155
Molecular FormulaC7H10F3N3O3
Molecular Weight241.17 g/mol
Exact Mass241.07
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCc1nnc(C(C)N)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9N3O.C2HF3O2/c1-3(6)5-8-7-4(2)9-5;3-2(4,5)1(6)7/h3H,6H2,1-2H3;(H,6,7)
InChIKeyPIXQUXFNUIFVTL-UHFFFAOYSA-N
XLogP1.03
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid (CID 138677155) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid is Cc1nnc(C(C)N)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is PIXQUXFNUIFVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.C2HF3O2/c1-3(6)5-8-7-4(2)9-5;3-2(4,5)1(6)7/h3H,6H2,1-2H3;(H,6,7).
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 241.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138677155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).