3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole

C12H21N3O — CID 62717350

IUPAC3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole
SMILESCCCOCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H21N3O/c1-2-8-16-9-7-11-13-12(15-14-11)10-5-3-4-6-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyMKXCERXDBPEDPM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds6

About 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole

3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole (PubChem CID 62717350) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole
PubChem CID62717350
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole
SMILESCCCOCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C12H21N3O/c1-2-8-16-9-7-11-13-12(15-14-11)10-5-3-4-6-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyMKXCERXDBPEDPM-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(methoxymethyl)cyclobutyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74246487
5-[2-(1-methylcyclopropyl)ethyl]-3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 97923281
3-(oxan-3-yl)-5-propyl-1H-1,2,4-triazole
CID 53788209
3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208746
3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208747
3-cyclohexyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208748
3-cyclohexyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208750
3-cyclopentyl-5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazole
CID 113788334
3-butyl-5-(2-ethylbutyl)-1H-1,2,4-triazole
CID 19976321
3-Butyl-5-isopentyl-1h-1,2,4-triazole
CID 21898679
3-cyclopentyl-5-methyl-4H-1,2,4-triazole
CID 43166766
3-heptan-3-yl-5-methyl-1H-1,2,4-triazole
CID 43166818

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole (CID 62717350) is 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole is CCCOCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole?
The InChIKey is MKXCERXDBPEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-8-16-9-7-11-13-12(15-14-11)10-5-3-4-6-10/h10H,2-9H2,1H3,(H,13,14,15).
What are the key properties of 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole?
3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(2-propoxyethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 62717350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).