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

C7H6F3N5 — CID 142348083

IUPAC3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCc1cnc(-c2n[nH]c(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C7H6F3N5/c1-3-2-11-4(12-3)5-13-6(15-14-5)7(8,9)10/h2H,1H3,(H,11,12)(H,13,14,15)
InChIKeyRGLNKLUIDSSNKL-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.52
Rot. Bonds1

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

3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 142348083) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID142348083
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCc1cnc(-c2n[nH]c(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C7H6F3N5/c1-3-2-11-4(12-3)5-13-6(15-14-5)7(8,9)10/h2H,1H3,(H,11,12)(H,13,14,15)
InChIKeyRGLNKLUIDSSNKL-UHFFFAOYSA-N
XLogP1.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 142348083) is 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole is Cc1cnc(-c2n[nH]c(C(F)(F)F)n2)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is RGLNKLUIDSSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c1-3-2-11-4(12-3)5-13-6(15-14-5)7(8,9)10/h2H,1H3,(H,11,12)(H,13,14,15).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 217.15 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 142348083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).