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

C17H14N4 — CID 607424

IUPAC5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2ncnn2C1c1ccccc1
InChIInChI=1S/C17H14N4/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/h1-12,16H,(H,18,19,20)
InChIKeyZTBNSVRCQQGYFH-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.33
Rot. Bonds2

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

5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 607424) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID607424
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2ncnn2C1c1ccccc1
InChIInChI=1S/C17H14N4/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/h1-12,16H,(H,18,19,20)
InChIKeyZTBNSVRCQQGYFH-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 607424) is 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is C1=C(c2ccccc2)Nc2ncnn2C1c1ccccc1.
What is the InChIKey of 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZTBNSVRCQQGYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/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/h1-12,16H,(H,18,19,20).
What are the key properties of 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 274.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 607424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).