2,3-diphenyl-1H-1,2,4-triazol-5-one

C14H11N3O — CID 851777

IUPAC2,3-diphenyl-1H-1,2,4-triazol-5-one
SMILESO=c1nc(-c2ccccc2)n(-c2ccccc2)[nH]1
InChIInChI=1S/C14H11N3O/c18-14-15-13(11-7-3-1-4-8-11)17(16-14)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKeyCCMRHGMLYXVEEF-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.23
Rot. Bonds2

About 2,3-diphenyl-1H-1,2,4-triazol-5-one

2,3-diphenyl-1H-1,2,4-triazol-5-one (PubChem CID 851777) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,3-diphenyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2,3-diphenyl-1H-1,2,4-triazol-5-one
PubChem CID851777
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2,3-diphenyl-1H-1,2,4-triazol-5-one
SMILESO=c1nc(-c2ccccc2)n(-c2ccccc2)[nH]1
InChIInChI=1S/C14H11N3O/c18-14-15-13(11-7-3-1-4-8-11)17(16-14)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKeyCCMRHGMLYXVEEF-UHFFFAOYSA-N
XLogP2.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-1,5-diphenyl-3H-1,2,4-triazole-3-thione
CID 2802516
2,5-diphenyl-1,2-dihydro-3H-1,2,4-triazole-3-thione
CID 661300
2,5-diphenyl-1H-1,2,4-triazol-3-one
CID 135538597
1-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-ol
CID 851776
2,3-Diphenyl-1,2,4-thiadiazol-5-imine
CID 682721
5-cyclohexyl-1-phenyl-1H-1,2,4-triazole-3-thiol
CID 2453572
3H-[1,2,4]triazolo[1,5-c]quinazolin-2-one
CID 8105840
4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 385485
1,3,6-Triphenyl-1,2-dihydro-1,2,4,5-tetrazine
CID 333901
3-(4-tert-butylphenyl)-2-phenyl-1H-1,2,4-triazol-5-one
CID 2737873
4,5-Diphenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 12377870
Benzylphenylsemicarbazid
CID 129629913

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 2,3-diphenyl-1H-1,2,4-triazol-5-one (CID 851777) is 2,3-diphenyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2,3-diphenyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2,3-diphenyl-1H-1,2,4-triazol-5-one is O=c1nc(-c2ccccc2)n(-c2ccccc2)[nH]1.
What is the InChIKey of 2,3-diphenyl-1H-1,2,4-triazol-5-one?
The InChIKey is CCMRHGMLYXVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-15-13(11-7-3-1-4-8-11)17(16-14)12-9-5-2-6-10-12/h1-10H,(H,16,18).
What are the key properties of 2,3-diphenyl-1H-1,2,4-triazol-5-one?
2,3-diphenyl-1H-1,2,4-triazol-5-one has a molecular weight of 237.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 851777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).