ethyl 5-(1-ethyltriazol-4-yl)pentanoate

C11H19N3O2 — CID 137386738

IUPACethyl 5-(1-ethyltriazol-4-yl)pentanoate
SMILESCCOC(=O)CCCCc1cn(CC)nn1
InChIInChI=1S/C11H19N3O2/c1-3-14-9-10(12-13-14)7-5-6-8-11(15)16-4-2/h9H,3-8H2,1-2H3
InChIKeyVJCJAZHMPZDWML-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.57
Rot. Bonds7

About ethyl 5-(1-ethyltriazol-4-yl)pentanoate

ethyl 5-(1-ethyltriazol-4-yl)pentanoate (PubChem CID 137386738) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 5-(1-ethyltriazol-4-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(1-ethyltriazol-4-yl)pentanoate
PubChem CID137386738
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 5-(1-ethyltriazol-4-yl)pentanoate
SMILESCCOC(=O)CCCCc1cn(CC)nn1
InChIInChI=1S/C11H19N3O2/c1-3-14-9-10(12-13-14)7-5-6-8-11(15)16-4-2/h9H,3-8H2,1-2H3
InChIKeyVJCJAZHMPZDWML-UHFFFAOYSA-N
XLogP1.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(4-pentyltriazol-1-yl)propanoate
CID 139241705
ethyl 2-(4-octyltriazol-1-yl)acetate
CID 71590881
ethyl 5-[4-(acetyloxymethyl)triazol-1-yl]pentanoate
CID 71503779
5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
CID 104538690
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
ethyl 5-(2,6-diaminopyrimidin-4-yl)pentanoate
CID 58765530
ethyl 3-[4-(methylsulfonylmethyl)triazol-1-yl]propanoate
CID 82208989
ethyl 5-[4-(benzenesulfonyloxymethyl)triazol-1-yl]pentanoate
CID 101345849
ethyl N-[2-[4-(4-aminobutyl)triazol-1-yl]acetyl]carbamate
CID 106209418
diethyl hexanedioate
CID 160747628
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
ethane;methyl 2-(4-butyltriazol-1-yl)acetate
CID 164877743

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-ethyltriazol-4-yl)pentanoate?
The IUPAC name of ethyl 5-(1-ethyltriazol-4-yl)pentanoate (CID 137386738) is ethyl 5-(1-ethyltriazol-4-yl)pentanoate.
What is the SMILES notation for ethyl 5-(1-ethyltriazol-4-yl)pentanoate?
The canonical SMILES for ethyl 5-(1-ethyltriazol-4-yl)pentanoate is CCOC(=O)CCCCc1cn(CC)nn1.
What is the InChIKey of ethyl 5-(1-ethyltriazol-4-yl)pentanoate?
The InChIKey is VJCJAZHMPZDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-9-10(12-13-14)7-5-6-8-11(15)16-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 5-(1-ethyltriazol-4-yl)pentanoate?
ethyl 5-(1-ethyltriazol-4-yl)pentanoate has a molecular weight of 225.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-ethyltriazol-4-yl)pentanoate is sourced from PubChem (CID 137386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).