5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole

C17H12F3N5 — CID 25166450

IUPAC5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole
SMILESFC(F)(F)c1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)14-4-2-1-3-12(14)9-25-10-16(23-24-25)11-5-6-15-13(7-11)8-21-22-15/h1-8,10H,9H2,(H,21,22)
InChIKeyOXEPQIPAPDUDMQ-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.89
Rot. Bonds3

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

5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166450) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole
PubChem CID25166450
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole
SMILESFC(F)(F)c1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)14-4-2-1-3-12(14)9-25-10-16(23-24-25)11-5-6-15-13(7-11)8-21-22-15/h1-8,10H,9H2,(H,21,22)
InChIKeyOXEPQIPAPDUDMQ-UHFFFAOYSA-N
XLogP3.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole (CID 25166450) is 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole is FC(F)(F)c1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1.
What is the InChIKey of 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole?
The InChIKey is OXEPQIPAPDUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-17(19,20)14-4-2-1-3-12(14)9-25-10-16(23-24-25)11-5-6-15-13(7-11)8-21-22-15/h1-8,10H,9H2,(H,21,22).
What are the key properties of 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole?
5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole has a molecular weight of 343.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).