4-(9-ethoxynonyl)-1-methyltriazole

C14H27N3O — CID 91364868

IUPAC4-(9-ethoxynonyl)-1-methyltriazole
SMILESCCOCCCCCCCCCc1cn(C)nn1
InChIInChI=1S/C14H27N3O/c1-3-18-12-10-8-6-4-5-7-9-11-14-13-17(2)16-15-14/h13H,3-12H2,1-2H3
InChIKeyWMOVQPLDORKFRD-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.12
Rot. Bonds11

About 4-(9-ethoxynonyl)-1-methyltriazole

4-(9-ethoxynonyl)-1-methyltriazole (PubChem CID 91364868) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(9-ethoxynonyl)-1-methyltriazole.

Molecular Properties

Compound Name4-(9-ethoxynonyl)-1-methyltriazole
PubChem CID91364868
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(9-ethoxynonyl)-1-methyltriazole
SMILESCCOCCCCCCCCCc1cn(C)nn1
InChIInChI=1S/C14H27N3O/c1-3-18-12-10-8-6-4-5-7-9-11-14-13-17(2)16-15-14/h13H,3-12H2,1-2H3
InChIKeyWMOVQPLDORKFRD-UHFFFAOYSA-N
XLogP3.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(9-ethoxynonyl)-1-methyltriazole?
The IUPAC name of 4-(9-ethoxynonyl)-1-methyltriazole (CID 91364868) is 4-(9-ethoxynonyl)-1-methyltriazole.
What is the SMILES notation for 4-(9-ethoxynonyl)-1-methyltriazole?
The canonical SMILES for 4-(9-ethoxynonyl)-1-methyltriazole is CCOCCCCCCCCCc1cn(C)nn1.
What is the InChIKey of 4-(9-ethoxynonyl)-1-methyltriazole?
The InChIKey is WMOVQPLDORKFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-18-12-10-8-6-4-5-7-9-11-14-13-17(2)16-15-14/h13H,3-12H2,1-2H3.
What are the key properties of 4-(9-ethoxynonyl)-1-methyltriazole?
4-(9-ethoxynonyl)-1-methyltriazole has a molecular weight of 253.39 g/mol, XLogP of 3.12, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethoxynonyl)-1-methyltriazole is sourced from PubChem (CID 91364868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).