5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C6H5F3N6O — CID 62793375

IUPAC5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(CC(F)(F)F)no2)n1
InChIInChI=1S/C6H5F3N6O/c7-6(8,9)1-2-11-4(16-15-2)3-12-5(10)14-13-3/h1H2,(H3,10,12,13,14)
InChIKeyHTISASKPMSRPEL-UHFFFAOYSA-N
MW234.14 g/mol
LogP0.54
Rot. Bonds2

About 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 62793375) has the molecular formula C6H5F3N6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID62793375
Molecular FormulaC6H5F3N6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(CC(F)(F)F)no2)n1
InChIInChI=1S/C6H5F3N6O/c7-6(8,9)1-2-11-4(16-15-2)3-12-5(10)14-13-3/h1H2,(H3,10,12,13,14)
InChIKeyHTISASKPMSRPEL-UHFFFAOYSA-N
XLogP0.54
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 62792860
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CID 62792862
CID 62793376
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CID 62793552
CID 62793554
CID 62793554

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 62793375) is 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(CC(F)(F)F)no2)n1.
What is the InChIKey of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is HTISASKPMSRPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N6O/c7-6(8,9)1-2-11-4(16-15-2)3-12-5(10)14-13-3/h1H2,(H3,10,12,13,14).
What are the key properties of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 234.14 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).