2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone

C17H15N3O — CID 114685688

IUPAC2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
SMILESCc1ccccc1CC(=O)c1cnnn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13-7-5-6-8-14(13)11-17(21)16-12-18-19-20(16)15-9-3-2-4-10-15/h2-10,12H,11H2,1H3
InChIKeyMTOUVOZKYPOGMO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone

2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone (PubChem CID 114685688) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
PubChem CID114685688
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
SMILESCc1ccccc1CC(=O)c1cnnn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13-7-5-6-8-14(13)11-17(21)16-12-18-19-20(16)15-9-3-2-4-10-15/h2-10,12H,11H2,1H3
InChIKeyMTOUVOZKYPOGMO-UHFFFAOYSA-N
XLogP3.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butylsulfanyl-1-(3-phenyltriazol-4-yl)ethanone
CID 114685856
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
2-(cyclohexen-1-yl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114686222
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(3-methyl-4-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114686157
3-(aminomethyl)-5-methyl-1-(3-phenyltriazol-4-yl)hexan-1-one
CID 114692061
(E)-1-(3-phenyltriazol-4-yl)pent-2-en-1-one
CID 103454199
(5-fluoro-2-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685719
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone (CID 114685688) is 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone is Cc1ccccc1CC(=O)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone?
The InChIKey is MTOUVOZKYPOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-7-5-6-8-14(13)11-17(21)16-12-18-19-20(16)15-9-3-2-4-10-15/h2-10,12H,11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone?
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone has a molecular weight of 277.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 114685688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).