5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole

C14H11F3N6O — CID 133483432

IUPAC5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nnc2n1CCN(c1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C14H11F3N6O/c15-14(16,17)12-20-19-10-8-22(6-7-23(10)12)13-18-11(24-21-13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyOXRKOGUUYJKDFG-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.37
Rot. Bonds2

About 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole

5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole (PubChem CID 133483432) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole
PubChem CID133483432
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nnc2n1CCN(c1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C14H11F3N6O/c15-14(16,17)12-20-19-10-8-22(6-7-23(10)12)13-18-11(24-21-13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyOXRKOGUUYJKDFG-UHFFFAOYSA-N
XLogP2.37
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,2,4-oxadiazole
CID 58334195
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]aniline
CID 64574998
5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
CID 133482718
7-[5-(bromomethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 107084074
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine
CID 104540459
7-benzyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 90906313
3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482280
5-phenyl-3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 59149754
1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 133481703
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
CID 80827597
N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine
CID 80825845

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole (CID 133483432) is 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole is FC(F)(F)c1nnc2n1CCN(c1noc(-c3ccccc3)n1)C2.
What is the InChIKey of 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole?
The InChIKey is OXRKOGUUYJKDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c15-14(16,17)12-20-19-10-8-22(6-7-23(10)12)13-18-11(24-21-13)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole?
5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole has a molecular weight of 336.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133483432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).