1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole

C10H8F3N3 — CID 23274336

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
SMILESFC(F)(F)c1cccc(Cn2cncn2)c1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-3-1-2-8(4-9)5-16-7-14-6-15-16/h1-4,6-7H,5H2
InChIKeyJHXSGWNCHWZAKL-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.35
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole

1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole (PubChem CID 23274336) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
PubChem CID23274336
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
SMILESFC(F)(F)c1cccc(Cn2cncn2)c1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-3-1-2-8(4-9)5-16-7-14-6-15-16/h1-4,6-7H,5H2
InChIKeyJHXSGWNCHWZAKL-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55914407
2-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile
CID 174911049
1-ethyl-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267305
2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3299775
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
2-(1,2,4-triazol-1-ylmethyl)-2,4-bis[3-(trifluoromethyl)phenyl]butanenitrile
CID 15036493
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776
2-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175947933
5-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55751429
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
N-[3-methyl-5-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 166366217

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole (CID 23274336) is 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole is FC(F)(F)c1cccc(Cn2cncn2)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole?
The InChIKey is JHXSGWNCHWZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)9-3-1-2-8(4-9)5-16-7-14-6-15-16/h1-4,6-7H,5H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole?
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole has a molecular weight of 227.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 23274336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).