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

C16H27N3O2 — CID 79480023

IUPACethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(C2CCCC2)nn1C
InChIInChI=1S/C16H27N3O2/c1-5-16(6-2,15(20)21-7-3)14-17-13(18-19(14)4)12-10-8-9-11-12/h12H,5-11H2,1-4H3
InChIKeyLYNZKCRNCIBSCO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.09
Rot. Bonds6

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

ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate (PubChem CID 79480023) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate
PubChem CID79480023
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)c1nc(C2CCCC2)nn1C
InChIInChI=1S/C16H27N3O2/c1-5-16(6-2,15(20)21-7-3)14-17-13(18-19(14)4)12-10-8-9-11-12/h12H,5-11H2,1-4H3
InChIKeyLYNZKCRNCIBSCO-UHFFFAOYSA-N
XLogP3.09
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-ethyl-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)butanoate
CID 79471919
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 62722170
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 55111659
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate
CID 22309729
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62943913
ethyl 2-ethyl-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butanoate
CID 79471717
1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 62722708
3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 71818005
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62722907
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate?
The IUPAC name of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate (CID 79480023) is ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate?
The canonical SMILES for ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate is CCOC(=O)C(CC)(CC)c1nc(C2CCCC2)nn1C.
What is the InChIKey of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate?
The InChIKey is LYNZKCRNCIBSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-16(6-2,15(20)21-7-3)14-17-13(18-19(14)4)12-10-8-9-11-12/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate?
ethyl 2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-ethylbutanoate has a molecular weight of 293.41 g/mol, XLogP of 3.09, 6 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-ethylbutanoate is sourced from PubChem (CID 79480023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).