1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine

C16H20F3N5 — CID 131920834

IUPAC1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCCN1CCN(Cc2ncnn2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3N5/c1-2-22-6-8-23(9-7-22)11-15-20-12-21-24(15)14-5-3-4-13(10-14)16(17,18)19/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyVZSRZTSVBPOGNK-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.42
Rot. Bonds4

About 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine

1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine (PubChem CID 131920834) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
PubChem CID131920834
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCCN1CCN(Cc2ncnn2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3N5/c1-2-22-6-8-23(9-7-22)11-15-20-12-21-24(15)14-5-3-4-13(10-14)16(17,18)19/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyVZSRZTSVBPOGNK-UHFFFAOYSA-N
XLogP2.42
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 107447268
5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 72900759
1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 56600336
4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 118319174
5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 759754
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
N-(1-ethylpiperidin-4-yl)-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86989029
3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 66654385
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 46078076
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine (CID 131920834) is 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine is CCN1CCN(Cc2ncnn2-c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine?
The InChIKey is VZSRZTSVBPOGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-2-22-6-8-23(9-7-22)11-15-20-12-21-24(15)14-5-3-4-13(10-14)16(17,18)19/h3-5,10,12H,2,6-9,11H2,1H3.
What are the key properties of 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine?
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine has a molecular weight of 339.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine is sourced from PubChem (CID 131920834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).