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

C15H11N3O2 — CID 69187699

IUPAC5,5-diphenyl-4H-1,2,4-triazine-3,6-dione
SMILESO=C1N=NC(=O)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C15H11N3O2/c19-13-15(16-14(20)18-17-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,20)
InChIKeyYJAOHBVFCZJEDV-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.63
Rot. Bonds2

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

5,5-diphenyl-4H-1,2,4-triazine-3,6-dione (PubChem CID 69187699) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione.

Molecular Properties

Compound Name5,5-diphenyl-4H-1,2,4-triazine-3,6-dione
PubChem CID69187699
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name5,5-diphenyl-4H-1,2,4-triazine-3,6-dione
SMILESO=C1N=NC(=O)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C15H11N3O2/c19-13-15(16-14(20)18-17-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,20)
InChIKeyYJAOHBVFCZJEDV-UHFFFAOYSA-N
XLogP2.63
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione?
The IUPAC name of 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione (CID 69187699) is 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione.
What is the SMILES notation for 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione?
The canonical SMILES for 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione is O=C1N=NC(=O)C(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione?
The InChIKey is YJAOHBVFCZJEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-13-15(16-14(20)18-17-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,20).
What are the key properties of 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione?
5,5-diphenyl-4H-1,2,4-triazine-3,6-dione has a molecular weight of 265.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4H-1,2,4-triazine-3,6-dione is sourced from PubChem (CID 69187699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).