1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone

C13H15N3O — CID 43671062

IUPAC1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
SMILESCCc1ccccc1-n1nnc(C(C)=O)c1C
InChIInChI=1S/C13H15N3O/c1-4-11-7-5-6-8-12(11)16-9(2)13(10(3)17)14-15-16/h5-8H,4H2,1-3H3
InChIKeyZCKWZCKVSIBMOL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.34
Rot. Bonds3

About 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone

1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone (PubChem CID 43671062) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
PubChem CID43671062
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
SMILESCCc1ccccc1-n1nnc(C(C)=O)c1C
InChIInChI=1S/C13H15N3O/c1-4-11-7-5-6-8-12(11)16-9(2)13(10(3)17)14-15-16/h5-8H,4H2,1-3H3
InChIKeyZCKWZCKVSIBMOL-UHFFFAOYSA-N
XLogP2.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
2-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 43671428
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone
CID 540378
1-(2-ethylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82195057
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
CID 107431385
ethyl 4-(4-acetyl-5-methyltriazol-1-yl)benzoate
CID 82201484
1-(2-ethylphenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
CID 94940430
2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 94935530
1-[1-(2-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 43671079
(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27375313

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone (CID 43671062) is 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone is CCc1ccccc1-n1nnc(C(C)=O)c1C.
What is the InChIKey of 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone?
The InChIKey is ZCKWZCKVSIBMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-4-11-7-5-6-8-12(11)16-9(2)13(10(3)17)14-15-16/h5-8H,4H2,1-3H3.
What are the key properties of 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone?
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone is sourced from PubChem (CID 43671062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).