1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole

C14H23N3O2 — CID 166257900

IUPAC1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole
SMILESc1c(C2CCCO2)nnn1CCOCC1CCCC1
InChIInChI=1S/C14H23N3O2/c1-2-5-12(4-1)11-18-9-7-17-10-13(15-16-17)14-6-3-8-19-14/h10,12,14H,1-9,11H2
InChIKeyGVMPZGZUWKCRND-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole

1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole (PubChem CID 166257900) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole.

Molecular Properties

Compound Name1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole
PubChem CID166257900
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole
SMILESc1c(C2CCCO2)nnn1CCOCC1CCCC1
InChIInChI=1S/C14H23N3O2/c1-2-5-12(4-1)11-18-9-7-17-10-13(15-16-17)14-6-3-8-19-14/h10,12,14H,1-9,11H2
InChIKeyGVMPZGZUWKCRND-UHFFFAOYSA-N
XLogP2.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
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

N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
CID 118041103
4-[4-(2-cyclopropylethynyl)phenyl]-1-[2-[[(2R)-oxan-2-yl]methoxy]ethyl]triazole
CID 164857034
methyl 4-[1-[2-(cyclopentylmethoxy)ethyl]triazol-4-yl]bicyclo[2.2.1]heptane-1-carboxylate
CID 166373789
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
1-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carbohydrazide
CID 63568612
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole
CID 167757835
4-[(1S)-cyclohex-3-en-1-yl]-1-(2-propoxyethyl)triazole
CID 95216677
1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine
CID 63316340
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole?
The IUPAC name of 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole (CID 166257900) is 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole.
What is the SMILES notation for 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole?
The canonical SMILES for 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole is c1c(C2CCCO2)nnn1CCOCC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole?
The InChIKey is GVMPZGZUWKCRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-5-12(4-1)11-18-9-7-17-10-13(15-16-17)14-6-3-8-19-14/h10,12,14H,1-9,11H2.
What are the key properties of 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole?
1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole has a molecular weight of 265.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole is sourced from PubChem (CID 166257900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).