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

C16H15N3O — CID 14708613

IUPAC1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one
SMILESCCn1c(-c2ccccc2)nc(=O)n1-c1ccccc1
InChIInChI=1S/C16H15N3O/c1-2-18-15(13-9-5-3-6-10-13)17-16(20)19(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyDPLKXVNHRIXMHE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.72
Rot. Bonds3

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

1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one (PubChem CID 14708613) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one
PubChem CID14708613
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one
SMILESCCn1c(-c2ccccc2)nc(=O)n1-c1ccccc1
InChIInChI=1S/C16H15N3O/c1-2-18-15(13-9-5-3-6-10-13)17-16(20)19(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyDPLKXVNHRIXMHE-UHFFFAOYSA-N
XLogP2.72
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-3-one
CID 134915399
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane
CID 91466703
5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one
CID 135512307
2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one
CID 67851555
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one
CID 22767970
4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
CID 70155466
2-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxylate
CID 71434654
1-methyl-4,5-diphenylpyrimidin-2-one
CID 12523498
4-bromo-1-ethyl-2-phenylimidazole
CID 30032980
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 17288729

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one?
The IUPAC name of 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one (CID 14708613) is 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one?
The canonical SMILES for 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one is CCn1c(-c2ccccc2)nc(=O)n1-c1ccccc1.
What is the InChIKey of 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one?
The InChIKey is DPLKXVNHRIXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-18-15(13-9-5-3-6-10-13)17-16(20)19(18)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one?
1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one has a molecular weight of 265.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-diphenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 14708613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).