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

C14H23N3O2 — CID 79471215

IUPACethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc(C2CCCC2)nn1C
InChIInChI=1S/C14H23N3O2/c1-5-19-13(18)14(2,3)12-15-11(16-17(12)4)10-8-6-7-9-10/h10H,5-9H2,1-4H3
InChIKeyLZZFQEPXXBPVTE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate (PubChem CID 79471215) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate
PubChem CID79471215
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc(C2CCCC2)nn1C
InChIInChI=1S/C14H23N3O2/c1-5-19-13(18)14(2,3)12-15-11(16-17(12)4)10-8-6-7-9-10/h10H,5-9H2,1-4H3
InChIKeyLZZFQEPXXBPVTE-UHFFFAOYSA-N
XLogP2.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate (CID 79471215) is ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc(C2CCCC2)nn1C.
What is the InChIKey of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate?
The InChIKey is LZZFQEPXXBPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-19-13(18)14(2,3)12-15-11(16-17(12)4)10-8-6-7-9-10/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate?
ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate has a molecular weight of 265.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methylpropanoate is sourced from PubChem (CID 79471215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).