5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

C6H9F3N4O — CID 106967097

IUPAC5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCC(F)(F)F)o1
InChIInChI=1S/C6H9F3N4O/c7-6(8,9)3-11-5-13-12-4(14-5)1-2-10/h1-3,10H2,(H,11,13)
InChIKeyQSHOAELTHJUXGA-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.55
Rot. Bonds4

About 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967097) has the molecular formula C6H9F3N4O and a molecular weight of 210.16 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967097
Molecular FormulaC6H9F3N4O
Molecular Weight210.16 g/mol
Exact Mass210.07
IUPAC Name5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCC(F)(F)F)o1
InChIInChI=1S/C6H9F3N4O/c7-6(8,9)3-11-5-13-12-4(14-5)1-2-10/h1-3,10H2,(H,11,13)
InChIKeyQSHOAELTHJUXGA-UHFFFAOYSA-N
XLogP0.55
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (CID 106967097) is 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(NCC(F)(F)F)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QSHOAELTHJUXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O/c7-6(8,9)3-11-5-13-12-4(14-5)1-2-10/h1-3,10H2,(H,11,13).
What are the key properties of 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 210.16 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).