3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole

C17H16FN3O3 — CID 10268378

IUPAC3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nc(OCF)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16FN3O3/c1-22-14-7-3-12(4-8-14)16-19-17(24-11-18)20-21(16)13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyGRGAGIRZLRLUOU-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.26
Rot. Bonds6

About 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole

3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 10268378) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
PubChem CID10268378
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nc(OCF)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16FN3O3/c1-22-14-7-3-12(4-8-14)16-19-17(24-11-18)20-21(16)13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyGRGAGIRZLRLUOU-UHFFFAOYSA-N
XLogP3.26
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-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-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole (CID 10268378) is 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole is COc1ccc(-c2nc(OCF)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is GRGAGIRZLRLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-22-14-7-3-12(4-8-14)16-19-17(24-11-18)20-21(16)13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 329.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-1,5-bis(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 10268378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).