2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C7H7F3N6O — CID 79257855

IUPAC2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H7F3N6O/c8-7(9,10)2-11-1-4-14-6(16-17-4)5-12-3-13-15-5/h3,11H,1-2H2,(H,12,13,15)
InChIKeyPNXZIEGNBFNWAJ-UHFFFAOYSA-N
MW248.17 g/mol
LogP0.51
Rot. Bonds4

About 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79257855) has the molecular formula C7H7F3N6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79257855
Molecular FormulaC7H7F3N6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H7F3N6O/c8-7(9,10)2-11-1-4-14-6(16-17-4)5-12-3-13-15-5/h3,11H,1-2H2,(H,12,13,15)
InChIKeyPNXZIEGNBFNWAJ-UHFFFAOYSA-N
XLogP0.51
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79257855) is 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is FC(F)(F)CNCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is PNXZIEGNBFNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6O/c8-7(9,10)2-11-1-4-14-6(16-17-4)5-12-3-13-15-5/h3,11H,1-2H2,(H,12,13,15).
What are the key properties of 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 248.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79257855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).