4-(8-ethoxyoct-7-enyl)-2H-triazole

C12H21N3O — CID 69116051

IUPAC4-(8-ethoxyoct-7-enyl)-2H-triazole
SMILESCCOC=CCCCCCCc1cn[nH]n1
InChIInChI=1S/C12H21N3O/c1-2-16-10-8-6-4-3-5-7-9-12-11-13-15-14-12/h8,10-11H,2-7,9H2,1H3,(H,13,14,15)
InChIKeyAZMXVQUFTLXGBF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.85
Rot. Bonds9

About 4-(8-ethoxyoct-7-enyl)-2H-triazole

4-(8-ethoxyoct-7-enyl)-2H-triazole (PubChem CID 69116051) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(8-ethoxyoct-7-enyl)-2H-triazole.

Molecular Properties

Compound Name4-(8-ethoxyoct-7-enyl)-2H-triazole
PubChem CID69116051
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(8-ethoxyoct-7-enyl)-2H-triazole
SMILESCCOC=CCCCCCCc1cn[nH]n1
InChIInChI=1S/C12H21N3O/c1-2-16-10-8-6-4-3-5-7-9-12-11-13-15-14-12/h8,10-11H,2-7,9H2,1H3,(H,13,14,15)
InChIKeyAZMXVQUFTLXGBF-UHFFFAOYSA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-ethoxyoct-7-enyl)-2H-triazole?
The IUPAC name of 4-(8-ethoxyoct-7-enyl)-2H-triazole (CID 69116051) is 4-(8-ethoxyoct-7-enyl)-2H-triazole.
What is the SMILES notation for 4-(8-ethoxyoct-7-enyl)-2H-triazole?
The canonical SMILES for 4-(8-ethoxyoct-7-enyl)-2H-triazole is CCOC=CCCCCCCc1cn[nH]n1.
What is the InChIKey of 4-(8-ethoxyoct-7-enyl)-2H-triazole?
The InChIKey is AZMXVQUFTLXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-16-10-8-6-4-3-5-7-9-12-11-13-15-14-12/h8,10-11H,2-7,9H2,1H3,(H,13,14,15).
What are the key properties of 4-(8-ethoxyoct-7-enyl)-2H-triazole?
4-(8-ethoxyoct-7-enyl)-2H-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethoxyoct-7-enyl)-2H-triazole is sourced from PubChem (CID 69116051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).