2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one

C16H11N5O — CID 137189873

IUPAC2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(-c2ccccc2)nc2nn(-c3ccccc3)nc12
InChIInChI=1S/C16H11N5O/c22-16-13-15(17-14(18-16)11-7-3-1-4-8-11)20-21(19-13)12-9-5-2-6-10-12/h1-10H,(H,17,18,20,22)
InChIKeyGEVGJFDXEDUQJH-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.17
Rot. Bonds2

About 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one

2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 137189873) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID137189873
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(-c2ccccc2)nc2nn(-c3ccccc3)nc12
InChIInChI=1S/C16H11N5O/c22-16-13-15(17-14(18-16)11-7-3-1-4-8-11)20-21(19-13)12-9-5-2-6-10-12/h1-10H,(H,17,18,20,22)
InChIKeyGEVGJFDXEDUQJH-UHFFFAOYSA-N
XLogP2.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one (CID 137189873) is 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one is O=c1[nH]c(-c2ccccc2)nc2nn(-c3ccccc3)nc12.
What is the InChIKey of 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GEVGJFDXEDUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-16-13-15(17-14(18-16)11-7-3-1-4-8-11)20-21(19-13)12-9-5-2-6-10-12/h1-10H,(H,17,18,20,22).
What are the key properties of 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 289.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 137189873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).