ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate

C11H19N3O2 — CID 79471558

IUPACethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1ncnn1CC
InChIInChI=1S/C11H19N3O2/c1-4-7-9(11(15)16-6-3)10-12-8-13-14(10)5-2/h8-9H,4-7H2,1-3H3
InChIKeyVFHFEGCTAJJION-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.74
Rot. Bonds6

About ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate

ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate (PubChem CID 79471558) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate
PubChem CID79471558
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1ncnn1CC
InChIInChI=1S/C11H19N3O2/c1-4-7-9(11(15)16-6-3)10-12-8-13-14(10)5-2/h8-9H,4-7H2,1-3H3
InChIKeyVFHFEGCTAJJION-UHFFFAOYSA-N
XLogP1.74
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)-4-methylpentanoate
CID 79472424
ethyl 2-(4-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)acetate
CID 79471560
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)butanoate
CID 79471366
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)pentanoate
CID 79472529
ethyl 2-(4-propyl-1,2,4-triazol-3-yl)pentanoate
CID 79472088
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
CID 79474968
ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
CID 63277510
1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylhexan-2-one
CID 115779150
ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488249
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
ethyl 2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pentanoate
CID 79822751

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate?
The IUPAC name of ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate (CID 79471558) is ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate.
What is the SMILES notation for ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate?
The canonical SMILES for ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate is CCCC(C(=O)OCC)c1ncnn1CC.
What is the InChIKey of ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate?
The InChIKey is VFHFEGCTAJJION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-7-9(11(15)16-6-3)10-12-8-13-14(10)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate?
ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate has a molecular weight of 225.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate is sourced from PubChem (CID 79471558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).