3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole

C14H10F3N3O — CID 141388701

IUPAC3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCOc1ccc2cc(-c3n[nH]c(C(F)(F)F)n3)ccc2c1
InChIInChI=1S/C14H10F3N3O/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)12-18-13(20-19-12)14(15,16)17/h2-7H,1H3,(H,18,19,20)
InChIKeyOJFVHNGGQCRYFC-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.65
Rot. Bonds2

About 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole

3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 141388701) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID141388701
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCOc1ccc2cc(-c3n[nH]c(C(F)(F)F)n3)ccc2c1
InChIInChI=1S/C14H10F3N3O/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)12-18-13(20-19-12)14(15,16)17/h2-7H,1H3,(H,18,19,20)
InChIKeyOJFVHNGGQCRYFC-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-methoxynaphthalen-2-yl)-5-(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 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 141388701) is 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole is COc1ccc2cc(-c3n[nH]c(C(F)(F)F)n3)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is OJFVHNGGQCRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)12-18-13(20-19-12)14(15,16)17/h2-7H,1H3,(H,18,19,20).
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 293.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 141388701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).