4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one

C17H17N3O — CID 70155466

IUPAC4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
SMILESCCn1c(-c2ccccc2)nn(-c2ccccc2C)c1=O
InChIInChI=1S/C17H17N3O/c1-3-19-16(14-10-5-4-6-11-14)18-20(17(19)21)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3
InChIKeyYIQBSJBZJQOAOR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.03
Rot. Bonds3

About 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one

4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one (PubChem CID 70155466) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
PubChem CID70155466
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
SMILESCCn1c(-c2ccccc2)nn(-c2ccccc2C)c1=O
InChIInChI=1S/C17H17N3O/c1-3-19-16(14-10-5-4-6-11-14)18-20(17(19)21)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3
InChIKeyYIQBSJBZJQOAOR-UHFFFAOYSA-N
XLogP3.03
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
1-(2,5-dimethylphenyl)-4-ethyl-5-oxo-1,2,4-triazole-3-carboxylic acid
CID 82484998
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one
CID 70708002
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
(2S)-2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]propanamide
CID 70754319
2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide
CID 70716185
2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 70154946
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
4-butyl-N-(4-butylbenzoyl)-N-[1-(2-methylphenyl)-3-phenylpyrazol-5-yl]benzamide
CID 67173269

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one (CID 70155466) is 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one is CCn1c(-c2ccccc2)nn(-c2ccccc2C)c1=O.
What is the InChIKey of 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one?
The InChIKey is YIQBSJBZJQOAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-19-16(14-10-5-4-6-11-14)18-20(17(19)21)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one?
4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one has a molecular weight of 279.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 70155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).