2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H12N4O — CID 661929

IUPAC2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C17H12N4O/c22-15-11-14(12-7-3-1-4-8-12)18-17-19-16(20-21(15)17)13-9-5-2-6-10-13/h1-11H,(H,18,19,20)
InChIKeyJTXNHQOMBLVMSD-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.75
Rot. Bonds2

About 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 661929) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID661929
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C17H12N4O/c22-15-11-14(12-7-3-1-4-8-12)18-17-19-16(20-21(15)17)13-9-5-2-6-10-13/h1-11H,(H,18,19,20)
InChIKeyJTXNHQOMBLVMSD-UHFFFAOYSA-N
XLogP2.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 661929) is 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JTXNHQOMBLVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-15-11-14(12-7-3-1-4-8-12)18-17-19-16(20-21(15)17)13-9-5-2-6-10-13/h1-11H,(H,18,19,20).
What are the key properties of 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 661929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).