5-ethenyl-1-prop-2-enyl-1,2,4-triazole

C7H9N3 — CID 129294458

IUPAC5-ethenyl-1-prop-2-enyl-1,2,4-triazole
SMILESC=CCn1ncnc1C=C
InChIInChI=1S/C7H9N3/c1-3-5-10-7(4-2)8-6-9-10/h3-4,6H,1-2,5H2
InChIKeyUBXSUGNEKJTFHT-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.11
Rot. Bonds3

About 5-ethenyl-1-prop-2-enyl-1,2,4-triazole

5-ethenyl-1-prop-2-enyl-1,2,4-triazole (PubChem CID 129294458) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-ethenyl-1-prop-2-enyl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-prop-2-enyl-1,2,4-triazole
PubChem CID129294458
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-ethenyl-1-prop-2-enyl-1,2,4-triazole
SMILESC=CCn1ncnc1C=C
InChIInChI=1S/C7H9N3/c1-3-5-10-7(4-2)8-6-9-10/h3-4,6H,1-2,5H2
InChIKeyUBXSUGNEKJTFHT-UHFFFAOYSA-N
XLogP1.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-prop-2-enyl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-prop-2-enyl-1,2,4-triazole (CID 129294458) is 5-ethenyl-1-prop-2-enyl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-prop-2-enyl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-prop-2-enyl-1,2,4-triazole is C=CCn1ncnc1C=C.
What is the InChIKey of 5-ethenyl-1-prop-2-enyl-1,2,4-triazole?
The InChIKey is UBXSUGNEKJTFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-5-10-7(4-2)8-6-9-10/h3-4,6H,1-2,5H2.
What are the key properties of 5-ethenyl-1-prop-2-enyl-1,2,4-triazole?
5-ethenyl-1-prop-2-enyl-1,2,4-triazole has a molecular weight of 135.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-prop-2-enyl-1,2,4-triazole is sourced from PubChem (CID 129294458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).