ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate

C15H19N3O2 — CID 79472205

IUPACethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(c1ccc(C)cc1)c1nc(C)nn1C
InChIInChI=1S/C15H19N3O2/c1-5-20-15(19)13(12-8-6-10(2)7-9-12)14-16-11(3)17-18(14)4/h6-9,13H,5H2,1-4H3
InChIKeyMEWHCNCSOUNDAL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.13
Rot. Bonds4

About ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate

ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate (PubChem CID 79472205) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate
PubChem CID79472205
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(c1ccc(C)cc1)c1nc(C)nn1C
InChIInChI=1S/C15H19N3O2/c1-5-20-15(19)13(12-8-6-10(2)7-9-12)14-16-11(3)17-18(14)4/h6-9,13H,5H2,1-4H3
InChIKeyMEWHCNCSOUNDAL-UHFFFAOYSA-N
XLogP2.13
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)acetate
CID 79471877
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate
CID 79472744
ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)butanoate
CID 79471464
ethyl 2-(4-fluorophenyl)-2-(4-propyl-1,2,4-triazol-3-yl)acetate
CID 79482482
ethyl 2-(3-methylphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)acetate
CID 79471553
ethyl 2-(4-heptoxyphenyl)-2-(4-methylphenyl)acetate
CID 54086655
ethyl 2-(4-chlorophenyl)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)acetate
CID 79474863
ethyl 2-phenyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 79472734
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220
ethyl 2-(4-methylphenyl)-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481694
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate?
The IUPAC name of ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate (CID 79472205) is ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate is CCOC(=O)C(c1ccc(C)cc1)c1nc(C)nn1C.
What is the InChIKey of ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate?
The InChIKey is MEWHCNCSOUNDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-20-15(19)13(12-8-6-10(2)7-9-12)14-16-11(3)17-18(14)4/h6-9,13H,5H2,1-4H3.
What are the key properties of ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate?
ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 79472205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).