5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H12N4 — CID 2834454

IUPAC5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-17(20-15)18-12-19-21/h1-12H
InChIKeyNSUMXFHCLFXIFH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.46
Rot. Bonds2

About 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2834454) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2834454
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-17(20-15)18-12-19-21/h1-12H
InChIKeyNSUMXFHCLFXIFH-UHFFFAOYSA-N
XLogP3.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2834454) is 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1.
What is the InChIKey of 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NSUMXFHCLFXIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-17(20-15)18-12-19-21/h1-12H.
What are the key properties of 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 272.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2834454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).