3,6-diphenyl-4H-1,2,4-triazin-5-one

C15H11N3O — CID 135413064

IUPAC3,6-diphenyl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C15H11N3O/c19-15-13(11-7-3-1-4-8-11)17-18-14(16-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
InChIKeyOVBZXBMCQXEFGU-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.50
Rot. Bonds2

About 3,6-diphenyl-4H-1,2,4-triazin-5-one

3,6-diphenyl-4H-1,2,4-triazin-5-one (PubChem CID 135413064) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3,6-diphenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3,6-diphenyl-4H-1,2,4-triazin-5-one
PubChem CID135413064
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3,6-diphenyl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C15H11N3O/c19-15-13(11-7-3-1-4-8-11)17-18-14(16-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)
InChIKeyOVBZXBMCQXEFGU-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3,6-diphenyl-4H-1,2,4-triazin-5-one (CID 135413064) is 3,6-diphenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3,6-diphenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3,6-diphenyl-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 3,6-diphenyl-4H-1,2,4-triazin-5-one?
The InChIKey is OVBZXBMCQXEFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-13(11-7-3-1-4-8-11)17-18-14(16-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19).
What are the key properties of 3,6-diphenyl-4H-1,2,4-triazin-5-one?
3,6-diphenyl-4H-1,2,4-triazin-5-one has a molecular weight of 249.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135413064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).