2,6-diphenyl-1,2,4-triazine-3,5-dione

C15H11N3O2 — CID 12569290

IUPAC2,6-diphenyl-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-14-13(11-7-3-1-4-8-11)17-18(15(20)16-14)12-9-5-2-6-10-12/h1-10H,(H,16,19,20)
InChIKeyKWDSCEGFLRQRHJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.59
Rot. Bonds2

About 2,6-diphenyl-1,2,4-triazine-3,5-dione

2,6-diphenyl-1,2,4-triazine-3,5-dione (PubChem CID 12569290) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,6-diphenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,6-diphenyl-1,2,4-triazine-3,5-dione
PubChem CID12569290
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name2,6-diphenyl-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-14-13(11-7-3-1-4-8-11)17-18(15(20)16-14)12-9-5-2-6-10-12/h1-10H,(H,16,19,20)
InChIKeyKWDSCEGFLRQRHJ-UHFFFAOYSA-N
XLogP1.59
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,6-diphenyl-1,2,4-triazine-3,5-dione (CID 12569290) is 2,6-diphenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,6-diphenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,6-diphenyl-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-1,2,4-triazine-3,5-dione?
The InChIKey is KWDSCEGFLRQRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14-13(11-7-3-1-4-8-11)17-18(15(20)16-14)12-9-5-2-6-10-12/h1-10H,(H,16,19,20).
What are the key properties of 2,6-diphenyl-1,2,4-triazine-3,5-dione?
2,6-diphenyl-1,2,4-triazine-3,5-dione has a molecular weight of 265.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12569290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).