4-[(E)-hex-1-enyl]-1-phenyltriazole

C14H17N3 — CID 102230523

IUPAC4-[(E)-hex-1-enyl]-1-phenyltriazole
SMILESCCCC/C=C/c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H17N3/c1-2-3-4-6-9-13-12-17(16-15-13)14-10-7-5-8-11-14/h5-12H,2-4H2,1H3/b9-6+
InChIKeyJCHHNRFEKRHRRY-RMKNXTFCSA-N
MW227.31 g/mol
LogP3.47
Rot. Bonds5

About 4-[(E)-hex-1-enyl]-1-phenyltriazole

4-[(E)-hex-1-enyl]-1-phenyltriazole (PubChem CID 102230523) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(E)-hex-1-enyl]-1-phenyltriazole.

Molecular Properties

Compound Name4-[(E)-hex-1-enyl]-1-phenyltriazole
PubChem CID102230523
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[(E)-hex-1-enyl]-1-phenyltriazole
SMILESCCCC/C=C/c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H17N3/c1-2-3-4-6-9-13-12-17(16-15-13)14-10-7-5-8-11-14/h5-12H,2-4H2,1H3/b9-6+
InChIKeyJCHHNRFEKRHRRY-RMKNXTFCSA-N
XLogP3.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-hex-1-enyl]-1-phenyltriazole?
The IUPAC name of 4-[(E)-hex-1-enyl]-1-phenyltriazole (CID 102230523) is 4-[(E)-hex-1-enyl]-1-phenyltriazole.
What is the SMILES notation for 4-[(E)-hex-1-enyl]-1-phenyltriazole?
The canonical SMILES for 4-[(E)-hex-1-enyl]-1-phenyltriazole is CCCC/C=C/c1cn(-c2ccccc2)nn1.
What is the InChIKey of 4-[(E)-hex-1-enyl]-1-phenyltriazole?
The InChIKey is JCHHNRFEKRHRRY-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-3-4-6-9-13-12-17(16-15-13)14-10-7-5-8-11-14/h5-12H,2-4H2,1H3/b9-6+.
What are the key properties of 4-[(E)-hex-1-enyl]-1-phenyltriazole?
4-[(E)-hex-1-enyl]-1-phenyltriazole has a molecular weight of 227.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-1-enyl]-1-phenyltriazole is sourced from PubChem (CID 102230523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).