1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole

C16H27N3O2 — CID 74232824

IUPAC1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole
SMILESCCOCCc1nc(C2CCOC2)nn1C1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-2-20-11-9-15-17-16(13-8-10-21-12-13)18-19(15)14-6-4-3-5-7-14/h13-14H,2-12H2,1H3
InChIKeyUUCDDFAUOOLQLS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.87
Rot. Bonds6

About 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole

1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole (PubChem CID 74232824) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole
PubChem CID74232824
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole
SMILESCCOCCc1nc(C2CCOC2)nn1C1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-2-20-11-9-15-17-16(13-8-10-21-12-13)18-19(15)14-6-4-3-5-7-14/h13-14H,2-12H2,1H3
InChIKeyUUCDDFAUOOLQLS-UHFFFAOYSA-N
XLogP2.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole (CID 74232824) is 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole is CCOCCc1nc(C2CCOC2)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
The InChIKey is UUCDDFAUOOLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-20-11-9-15-17-16(13-8-10-21-12-13)18-19(15)14-6-4-3-5-7-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole has a molecular weight of 293.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(2-ethoxyethyl)-3-(oxolan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 74232824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).