4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione

C14H9N3O2 — CID 125269943

IUPAC4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione
SMILESO=C1N=NC(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C14H9N3O2/c18-13-15-16-14(19)17(13)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeySTHXHBJQHYNGOI-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.87
Rot. Bonds2

About 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione

4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione (PubChem CID 125269943) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione.

Molecular Properties

Compound Name4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione
PubChem CID125269943
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione
SMILESO=C1N=NC(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C14H9N3O2/c18-13-15-16-14(19)17(13)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeySTHXHBJQHYNGOI-UHFFFAOYSA-N
XLogP3.87
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylphenyl)imidazolidine-2,4,5-trione
CID 43153855
5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione
CID 3108912
1-[2,4-diamino-5-[2-oxo-3-(2-phenylphenyl)benzimidazol-1-yl]phenyl]-3-(2-phenylphenyl)benzimidazol-2-one
CID 129187596
4-(2-phenylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3742062
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715
4-(2-phenylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898416
4-[1,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234979
2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399870
copper bis(2-phenylphenolate)
CID 69349474
iron(2+);bis(2-phenylphenolate)
CID 158924180
azanium 2-phenylphenolate
CID 70290125
potassium 2-phenylphenolate
CID 23686122

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione?
The IUPAC name of 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione (CID 125269943) is 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione.
What is the SMILES notation for 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione?
The canonical SMILES for 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione is O=C1N=NC(=O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione?
The InChIKey is STHXHBJQHYNGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-13-15-16-14(19)17(13)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione?
4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione has a molecular weight of 251.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione is sourced from PubChem (CID 125269943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).