[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate

C8H10F3N3O3 — CID 86639954

IUPAC[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate
SMILESCc1noc(C2([NH3+])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
LogP-1.09
Rot. Bonds1

About [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate

[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate (PubChem CID 86639954) 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)cyclopropyl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate
PubChem CID86639954
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate
SMILESCc1noc(C2([NH3+])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
XLogP-1.09
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate?
The IUPAC name of [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate (CID 86639954) is [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate?
The canonical SMILES for [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate is Cc1noc(C2([NH3+])CC2)n1.O=C([O-])C(F)(F)F.
What is the InChIKey of [1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate?
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)cyclopropyl]azanium;2,2,2-trifluoroacetate?
[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]azanium;2,2,2-trifluoroacetate has a molecular weight of 253.18 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 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)cyclopropyl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 86639954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).