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

C9H13F3N4 — CID 83959689

IUPAC1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESFC(F)(F)c1n[nH]c(CN2CCCCC2)n1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-13-7(14-15-8)6-16-4-2-1-3-5-16/h1-6H2,(H,13,14,15)
InChIKeyJFHYQRIOFAZIHP-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.81
Rot. Bonds2

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

1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine (PubChem CID 83959689) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
PubChem CID83959689
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESFC(F)(F)c1n[nH]c(CN2CCCCC2)n1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-13-7(14-15-8)6-16-4-2-1-3-5-16/h1-6H2,(H,13,14,15)
InChIKeyJFHYQRIOFAZIHP-UHFFFAOYSA-N
XLogP1.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine (CID 83959689) is 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine is FC(F)(F)c1n[nH]c(CN2CCCCC2)n1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The InChIKey is JFHYQRIOFAZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-13-7(14-15-8)6-16-4-2-1-3-5-16/h1-6H2,(H,13,14,15).
What are the key properties of 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine?
1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine has a molecular weight of 234.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine is sourced from PubChem (CID 83959689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).