5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H11F3N4 — CID 4116570

IUPAC5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2C=C(c3ccc(F)cc3F)Nc3ncnn32)cc1
InChIInChI=1S/C17H11F3N4/c18-11-3-1-10(2-4-11)16-8-15(23-17-21-9-22-24(16)17)13-6-5-12(19)7-14(13)20/h1-9,16H,(H,21,22,23)
InChIKeySCDFPIRMCMRRFJ-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.75
Rot. Bonds2

About 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4116570) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4116570
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2C=C(c3ccc(F)cc3F)Nc3ncnn32)cc1
InChIInChI=1S/C17H11F3N4/c18-11-3-1-10(2-4-11)16-8-15(23-17-21-9-22-24(16)17)13-6-5-12(19)7-14(13)20/h1-9,16H,(H,21,22,23)
InChIKeySCDFPIRMCMRRFJ-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine 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-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4116570) is 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(C2C=C(c3ccc(F)cc3F)Nc3ncnn32)cc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SCDFPIRMCMRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-11-3-1-10(2-4-11)16-8-15(23-17-21-9-22-24(16)17)13-6-5-12(19)7-14(13)20/h1-9,16H,(H,21,22,23).
What are the key properties of 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 328.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4116570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).