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

C13H23N3O2 — CID 79471919

IUPACethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(CC)nn1C
InChIInChI=1S/C13H23N3O2/c1-6-10-14-11(16(5)15-10)13(7-2,8-3)12(17)18-9-4/h6-9H2,1-5H3
InChIKeyFTKURRNJMUXQPE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.00
Rot. Bonds6

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

ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate (PubChem CID 79471919) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate
PubChem CID79471919
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nameethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(CC)nn1C
InChIInChI=1S/C13H23N3O2/c1-6-10-14-11(16(5)15-10)13(7-2,8-3)12(17)18-9-4/h6-9H2,1-5H3
InChIKeyFTKURRNJMUXQPE-UHFFFAOYSA-N
XLogP2.00
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate
CID 79480023
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)pentanoate
CID 79472529
ethyl 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79471825
ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate
CID 79471717
ethyl 2-ethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79472355
ethyl 2-ethyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79471305
ethyl 2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-ethylbutanoate
CID 116808490
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate
CID 79472744
ethyl 2-ethyl-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 82887921
4-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 115825903
ethyl 5-(2-methoxypropan-2-yl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 103022492
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
CID 138673569

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate?
The IUPAC name of ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate (CID 79471919) is ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate is CCOC(=O)C(CC)(CC)c1nc(CC)nn1C.
What is the InChIKey of ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate?
The InChIKey is FTKURRNJMUXQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-10-14-11(16(5)15-10)13(7-2,8-3)12(17)18-9-4/h6-9H2,1-5H3.
What are the key properties of ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate?
ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate has a molecular weight of 253.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate is sourced from PubChem (CID 79471919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).