ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate

C10H15N3O2 — CID 79471152

IUPACethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ncn[nH]2)CCCC1
InChIInChI=1S/C10H15N3O2/c1-2-15-9(14)10(5-3-4-6-10)8-11-7-12-13-8/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyZUWCUZBPZGNAKR-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds3

About ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate

ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate (PubChem CID 79471152) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate
PubChem CID79471152
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ncn[nH]2)CCCC1
InChIInChI=1S/C10H15N3O2/c1-2-15-9(14)10(5-3-4-6-10)8-11-7-12-13-8/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyZUWCUZBPZGNAKR-UHFFFAOYSA-N
XLogP1.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate
CID 79471338
ethyl 1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexane-1-carboxylate
CID 79471344
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(6-hydroxy-1H-benzimidazol-2-yl)cyclohexane-1-carboxylate
CID 81431080
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 2,3,4,5,6,7-hexahydroindole-3a-carboxylate
CID 15644048
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
CID 106678127
ethyl 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylate
CID 79472496
ethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylate
CID 79472710
ethyl 1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutane-1-carboxylate
CID 81448307

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate (CID 79471152) is ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2ncn[nH]2)CCCC1.
What is the InChIKey of ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
The InChIKey is ZUWCUZBPZGNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-9(14)10(5-3-4-6-10)8-11-7-12-13-8/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate?
ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79471152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).