5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine

C7H9F3N4O — CID 65419218

IUPAC5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6(1-2-12-3-6)4-13-5(11)14-15-4/h12H,1-3H2,(H2,11,14)
InChIKeyIBSNHPMTWAQXBH-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.45
Rot. Bonds1

About 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine

5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 65419218) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID65419218
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6(1-2-12-3-6)4-13-5(11)14-15-4/h12H,1-3H2,(H2,11,14)
InChIKeyIBSNHPMTWAQXBH-UHFFFAOYSA-N
XLogP0.45
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine (CID 65419218) is 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine is Nc1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is IBSNHPMTWAQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6(1-2-12-3-6)4-13-5(11)14-15-4/h12H,1-3H2,(H2,11,14).
What are the key properties of 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine?
5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 222.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65419218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).