5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole

C18H25N3 — CID 25158090

IUPAC5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole
SMILESC=CCCCCCCCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H25N3/c1-2-3-4-5-6-7-8-12-15-17-19-18(21-20-17)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2,(H,19,20,21)
InChIKeyXSQWGBYVIURZBO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.93
Rot. Bonds10

About 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole

5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole (PubChem CID 25158090) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole
PubChem CID25158090
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole
SMILESC=CCCCCCCCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H25N3/c1-2-3-4-5-6-7-8-12-15-17-19-18(21-20-17)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2,(H,19,20,21)
InChIKeyXSQWGBYVIURZBO-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-dec-9-enyl-3-phenyl-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 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole (CID 25158090) is 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole is C=CCCCCCCCCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole?
The InChIKey is XSQWGBYVIURZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-3-4-5-6-7-8-12-15-17-19-18(21-20-17)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2,(H,19,20,21).
What are the key properties of 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole?
5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole has a molecular weight of 283.42 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 25158090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).