methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate

C11H17N3O2 — CID 165486545

IUPACmethyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate
SMILESCCn1nnc(C(=O)OC)c1C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-3-14-10(8-6-4-5-7-8)9(12-13-14)11(15)16-2/h8H,3-7H2,1-2H3
InChIKeyGEYNLQAXKWEDKZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.74
Rot. Bonds3

About methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate

methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate (PubChem CID 165486545) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate
PubChem CID165486545
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate
SMILESCCn1nnc(C(=O)OC)c1C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-3-14-10(8-6-4-5-7-8)9(12-13-14)11(15)16-2/h8H,3-7H2,1-2H3
InChIKeyGEYNLQAXKWEDKZ-UHFFFAOYSA-N
XLogP1.74
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate?
The IUPAC name of methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate (CID 165486545) is methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate.
What is the SMILES notation for methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate?
The canonical SMILES for methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate is CCn1nnc(C(=O)OC)c1C1CCCC1.
What is the InChIKey of methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate?
The InChIKey is GEYNLQAXKWEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14-10(8-6-4-5-7-8)9(12-13-14)11(15)16-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate?
methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopentyl-1-ethyltriazole-4-carboxylate is sourced from PubChem (CID 165486545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).