5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole

C11H8F3N7 — CID 56704436

IUPAC5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole
SMILESFC(F)(F)c1cccc(-n2cnnc2Cc2nn[nH]n2)c1
InChIInChI=1S/C11H8F3N7/c12-11(13,14)7-2-1-3-8(4-7)21-6-15-18-10(21)5-9-16-19-20-17-9/h1-4,6H,5H2,(H,16,17,19,20)
InChIKeyIKQMYLZKXJDBLG-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.39
Rot. Bonds3

About 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole

5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole (PubChem CID 56704436) has the molecular formula C11H8F3N7 and a molecular weight of 295.23 g/mol. Its IUPAC name is 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole
PubChem CID56704436
Molecular FormulaC11H8F3N7
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole
SMILESFC(F)(F)c1cccc(-n2cnnc2Cc2nn[nH]n2)c1
InChIInChI=1S/C11H8F3N7/c12-11(13,14)7-2-1-3-8(4-7)21-6-15-18-10(21)5-9-16-19-20-17-9/h1-4,6H,5H2,(H,16,17,19,20)
InChIKeyIKQMYLZKXJDBLG-UHFFFAOYSA-N
XLogP1.39
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

N-(4H-1,2,4-triazol-4-yl)-N-({1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}methylene)amine
CID 6859150
3,4-Diphenyl-4H-1,2,4-triazole
CID 5199040
N-[(E)-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene]-4H-1,2,4-triazol-4-amine
CID 6858396
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487902
2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 134137580
3-{4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}propan-1-ol
CID 56711503
1-{2-[3-cyclopropyl-1-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazole
CID 72849377
3-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 91914765
2-(4-Cyclopentyl-4H-1,2,4-triazol-3-YL)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 124037925
3-[(1-Benzylpyrrolidin-3-yl)methyl]-4-phenyl-1,2,4-triazole
CID 132333720
3-methyl-5-[4-(4H-1,2,4-triazol-4-yl)phenyl]-4H-1,2,4-triazole
CID 50952862
2-(4-(Trifluoromethyl)phenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate
CID 139259049

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole?
The IUPAC name of 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole (CID 56704436) is 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole is FC(F)(F)c1cccc(-n2cnnc2Cc2nn[nH]n2)c1.
What is the InChIKey of 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole?
The InChIKey is IKQMYLZKXJDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7/c12-11(13,14)7-2-1-3-8(4-7)21-6-15-18-10(21)5-9-16-19-20-17-9/h1-4,6H,5H2,(H,16,17,19,20).
What are the key properties of 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole?
5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole has a molecular weight of 295.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-2H-tetrazole is sourced from PubChem (CID 56704436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).