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

C8H10F3N3O3 — CID 122235882

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCc1noc(C2(N)CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3O.C2HF3O2/c1-4-8-5(10-9-4)6(7)2-3-6;3-2(4,5)1(6)7/h2-3,7H2,1H3;(H,6,7)
InChIKeyAEPGFAYBRVZSGA-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.96
Rot. Bonds1

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

1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 122235882) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID122235882
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCc1noc(C2(N)CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3O.C2HF3O2/c1-4-8-5(10-9-4)6(7)2-3-6;3-2(4,5)1(6)7/h2-3,7H2,1H3;(H,6,7)
InChIKeyAEPGFAYBRVZSGA-UHFFFAOYSA-N
XLogP0.96
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid (CID 122235882) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid is Cc1noc(C2(N)CC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AEPGFAYBRVZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C2HF3O2/c1-4-8-5(10-9-4)6(7)2-3-6;3-2(4,5)1(6)7/h2-3,7H2,1H3;(H,6,7).
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid?
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 253.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122235882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).