3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole

C6H4F3N5 — CID 167768585

IUPAC3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2cnc[nH]2)n[nH]1
InChIInChI=1S/C6H4F3N5/c7-6(8,9)5-12-4(13-14-5)3-1-10-2-11-3/h1-2H,(H,10,11)(H,12,13,14)
InChIKeyBUWGKAPCQXCGLX-UHFFFAOYSA-N
MW203.13 g/mol
LogP1.21
Rot. Bonds1

About 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole

3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 167768585) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID167768585
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2cnc[nH]2)n[nH]1
InChIInChI=1S/C6H4F3N5/c7-6(8,9)5-12-4(13-14-5)3-1-10-2-11-3/h1-2H,(H,10,11)(H,12,13,14)
InChIKeyBUWGKAPCQXCGLX-UHFFFAOYSA-N
XLogP1.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 167768585) is 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1nc(-c2cnc[nH]2)n[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is BUWGKAPCQXCGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)5-12-4(13-14-5)3-1-10-2-11-3/h1-2H,(H,10,11)(H,12,13,14).
What are the key properties of 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 203.13 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 167768585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).