4-[(E)-non-1-enyl]-2H-triazole

C11H19N3 — CID 69116488

IUPAC4-[(E)-non-1-enyl]-2H-triazole
SMILESCCCCCCC/C=C/c1cn[nH]n1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-9-11-10-12-14-13-11/h8-10H,2-7H2,1H3,(H,12,13,14)/b9-8+
InChIKeyBCBCCIGPYKSYKL-CMDGGOBGSA-N
MW193.29 g/mol
LogP3.18
Rot. Bonds7

About 4-[(E)-non-1-enyl]-2H-triazole

4-[(E)-non-1-enyl]-2H-triazole (PubChem CID 69116488) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(E)-non-1-enyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-non-1-enyl]-2H-triazole
PubChem CID69116488
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-[(E)-non-1-enyl]-2H-triazole
SMILESCCCCCCC/C=C/c1cn[nH]n1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-9-11-10-12-14-13-11/h8-10H,2-7H2,1H3,(H,12,13,14)/b9-8+
InChIKeyBCBCCIGPYKSYKL-CMDGGOBGSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-non-1-enyl]-2H-triazole?
The IUPAC name of 4-[(E)-non-1-enyl]-2H-triazole (CID 69116488) is 4-[(E)-non-1-enyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-non-1-enyl]-2H-triazole?
The canonical SMILES for 4-[(E)-non-1-enyl]-2H-triazole is CCCCCCC/C=C/c1cn[nH]n1.
What is the InChIKey of 4-[(E)-non-1-enyl]-2H-triazole?
The InChIKey is BCBCCIGPYKSYKL-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-6-7-8-9-11-10-12-14-13-11/h8-10H,2-7H2,1H3,(H,12,13,14)/b9-8+.
What are the key properties of 4-[(E)-non-1-enyl]-2H-triazole?
4-[(E)-non-1-enyl]-2H-triazole has a molecular weight of 193.29 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-non-1-enyl]-2H-triazole is sourced from PubChem (CID 69116488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).