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

C5H3F3N6O — CID 82007545

IUPAC5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C(F)(F)F)no2)n1
InChIInChI=1S/C5H3F3N6O/c6-5(7,8)3-11-2(15-14-3)1-10-4(9)13-12-1/h(H3,9,10,12,13)
InChIKeyZRRYNNYJCFFDSL-UHFFFAOYSA-N
MW220.11 g/mol
LogP0.46
Rot. Bonds1

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

5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 82007545) has the molecular formula C5H3F3N6O and a molecular weight of 220.11 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID82007545
Molecular FormulaC5H3F3N6O
Molecular Weight220.11 g/mol
Exact Mass220.03
IUPAC Name5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C(F)(F)F)no2)n1
InChIInChI=1S/C5H3F3N6O/c6-5(7,8)3-11-2(15-14-3)1-10-4(9)13-12-1/h(H3,9,10,12,13)
InChIKeyZRRYNNYJCFFDSL-UHFFFAOYSA-N
XLogP0.46
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 82007545) is 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(C(F)(F)F)no2)n1.
What is the InChIKey of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is ZRRYNNYJCFFDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N6O/c6-5(7,8)3-11-2(15-14-3)1-10-4(9)13-12-1/h(H3,9,10,12,13).
What are the key properties of 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 220.11 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 82007545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).