5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole

C15H23N3 — CID 138725450

IUPAC5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole
SMILESC=C/C(=C\n1ncnc1C=C)CCCCCCC
InChIInChI=1S/C15H23N3/c1-4-7-8-9-10-11-14(5-2)12-18-15(6-3)16-13-17-18/h5-6,12-13H,2-4,7-11H2,1H3/b14-12+
InChIKeyWNWNKAFYEXTIEN-WYMLVPIESA-N
MW245.37 g/mol
LogP4.31
Rot. Bonds9

About 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole

5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole (PubChem CID 138725450) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole
PubChem CID138725450
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole
SMILESC=C/C(=C\n1ncnc1C=C)CCCCCCC
InChIInChI=1S/C15H23N3/c1-4-7-8-9-10-11-14(5-2)12-18-15(6-3)16-13-17-18/h5-6,12-13H,2-4,7-11H2,1H3/b14-12+
InChIKeyWNWNKAFYEXTIEN-WYMLVPIESA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole (CID 138725450) is 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole is C=C/C(=C\n1ncnc1C=C)CCCCCCC.
What is the InChIKey of 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole?
The InChIKey is WNWNKAFYEXTIEN-WYMLVPIESA-N. The full InChI is InChI=1S/C15H23N3/c1-4-7-8-9-10-11-14(5-2)12-18-15(6-3)16-13-17-18/h5-6,12-13H,2-4,7-11H2,1H3/b14-12+.
What are the key properties of 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole?
5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole has a molecular weight of 245.37 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-[(Z)-2-ethenylnon-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 138725450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).