5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

C11H10F3N3O — CID 167831888

IUPAC5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1n[nH]c(COCc2ccccc2)n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)10-15-9(16-17-10)7-18-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16,17)
InChIKeyNUCZWXCAGIYGEK-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.54
Rot. Bonds4

About 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole

5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 167831888) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID167831888
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1n[nH]c(COCc2ccccc2)n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)10-15-9(16-17-10)7-18-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16,17)
InChIKeyNUCZWXCAGIYGEK-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 167831888) is 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1n[nH]c(COCc2ccccc2)n1.
What is the InChIKey of 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is NUCZWXCAGIYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)10-15-9(16-17-10)7-18-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16,17).
What are the key properties of 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 257.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 167831888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).