ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate

C15H19N3O2 — CID 79472744

IUPACethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1nc(CC)nn1C
InChIInChI=1S/C15H19N3O2/c1-4-12-16-14(18(3)17-12)13(15(19)20-5-2)11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3
InChIKeyFXZBURMCZNLKBV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.07
Rot. Bonds5

About ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate

ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate (PubChem CID 79472744) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate
PubChem CID79472744
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)c1nc(CC)nn1C
InChIInChI=1S/C15H19N3O2/c1-4-12-16-14(18(3)17-12)13(15(19)20-5-2)11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3
InChIKeyFXZBURMCZNLKBV-UHFFFAOYSA-N
XLogP2.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-phenylpropanoate
CID 79482646
ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate
CID 79472205
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)pentanoate
CID 79472529
ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)acetate
CID 79471877
ethyl 2-phenyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 79472734
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
CID 79826968
ethyl 2-(3-methylphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)acetate
CID 79471553
ethyl 2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butanoate
CID 79471568
ethyl 2-phenyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetate
CID 79474304
ethyl 2-(4-fluorophenyl)-2-(4-propyl-1,2,4-triazol-3-yl)acetate
CID 79482482
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate (CID 79472744) is ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)c1nc(CC)nn1C.
What is the InChIKey of ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate?
The InChIKey is FXZBURMCZNLKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-12-16-14(18(3)17-12)13(15(19)20-5-2)11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate?
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate has a molecular weight of 273.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate is sourced from PubChem (CID 79472744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).