1-(2-ethylidenehex-3-enyl)triazole

C10H15N3 — CID 123835453

IUPAC1-(2-ethylidenehex-3-enyl)triazole
SMILESCC=C(C=CCC)Cn1ccnn1
InChIInChI=1S/C10H15N3/c1-3-5-6-10(4-2)9-13-8-7-11-12-13/h4-8H,3,9H2,1-2H3
InChIKeyPIAVIDOUJCZVQV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds4

About 1-(2-ethylidenehex-3-enyl)triazole

1-(2-ethylidenehex-3-enyl)triazole (PubChem CID 123835453) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2-ethylidenehex-3-enyl)triazole.

Molecular Properties

Compound Name1-(2-ethylidenehex-3-enyl)triazole
PubChem CID123835453
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(2-ethylidenehex-3-enyl)triazole
SMILESCC=C(C=CCC)Cn1ccnn1
InChIInChI=1S/C10H15N3/c1-3-5-6-10(4-2)9-13-8-7-11-12-13/h4-8H,3,9H2,1-2H3
InChIKeyPIAVIDOUJCZVQV-UHFFFAOYSA-N
XLogP2.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylidenehex-3-enyl)triazole?
The IUPAC name of 1-(2-ethylidenehex-3-enyl)triazole (CID 123835453) is 1-(2-ethylidenehex-3-enyl)triazole.
What is the SMILES notation for 1-(2-ethylidenehex-3-enyl)triazole?
The canonical SMILES for 1-(2-ethylidenehex-3-enyl)triazole is CC=C(C=CCC)Cn1ccnn1.
What is the InChIKey of 1-(2-ethylidenehex-3-enyl)triazole?
The InChIKey is PIAVIDOUJCZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-5-6-10(4-2)9-13-8-7-11-12-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(2-ethylidenehex-3-enyl)triazole?
1-(2-ethylidenehex-3-enyl)triazole has a molecular weight of 177.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylidenehex-3-enyl)triazole is sourced from PubChem (CID 123835453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).