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

C5H3F3N6O — CID 141429527

IUPAC4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N6O/c6-5(7,8)4-10-3(11-12-4)1-2(9)14-15-13-1/h(H2,9,14)(H,10,11,12)
InChIKeySFZYFLYKDXWBRS-UHFFFAOYSA-N
MW220.11 g/mol
LogP0.46
Rot. Bonds1

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

4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 141429527) has the molecular formula C5H3F3N6O and a molecular weight of 220.11 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID141429527
Molecular FormulaC5H3F3N6O
Molecular Weight220.11 g/mol
Exact Mass220.03
IUPAC Name4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N6O/c6-5(7,8)4-10-3(11-12-4)1-2(9)14-15-13-1/h(H2,9,14)(H,10,11,12)
InChIKeySFZYFLYKDXWBRS-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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Related Compounds

1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
CID 616587
3-Nitro-4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole
CID 542732
4-(1h-1,2,4-Triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 565277
3-Amino-4-(5-amino-1h-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 12007475
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
4-nitro-5-(5-nitro-1H-1,2,4-triazol-3-yl)-2H-triazole
CID 141751488
4-[5-(4-nitro-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazole-3-thione
CID 175646723
3-Azido-4-[3-(4-azido-1,2,5-oxadiazol-3-yl)-1h-1,2,4-triazol-5-yl]-1,2,5-oxadiazole
CID 12142055
3,5-Bis(4-nitramino-1,2,5-oxadiazol-3-yl)-1,2,4-triazole
CID 129743798
4-(5-Amino-4h-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine hydrochloride
CID 139599831
[3-amino-5-(4-nitramido-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-4-ium-4-yl]-nitroazanide
CID 168338783
bis(diaminomethylideneazanium);nitro-[5-(5-nitro-2H-triazol-4-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]azanide
CID 168339770

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 141429527) is 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is SFZYFLYKDXWBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N6O/c6-5(7,8)4-10-3(11-12-4)1-2(9)14-15-13-1/h(H2,9,14)(H,10,11,12).
What are the key properties of 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-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 4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 141429527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).