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

C12H21N3O — CID 62588227

IUPAC3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole
SMILESCCOCCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C12H21N3O/c1-2-16-9-8-11-13-12(15-14-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyRMEOBKYQLFSXMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds5

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

3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole (PubChem CID 62588227) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole
PubChem CID62588227
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole
SMILESCCOCCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C12H21N3O/c1-2-16-9-8-11-13-12(15-14-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyRMEOBKYQLFSXMV-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole (CID 62588227) is 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole is CCOCCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole?
The InChIKey is RMEOBKYQLFSXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-16-9-8-11-13-12(15-14-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14,15).
What are the key properties of 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 62588227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).