5-ethenyl-1-ethyl-1,2,4-triazole

C6H9N3 — CID 71651539

IUPAC5-ethenyl-1-ethyl-1,2,4-triazole
SMILESC=Cc1ncnn1CC
InChIInChI=1S/C6H9N3/c1-3-6-7-5-8-9(6)4-2/h3,5H,1,4H2,2H3
InChIKeyQBJUWHBGTSAENR-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.94
Rot. Bonds2

About 5-ethenyl-1-ethyl-1,2,4-triazole

5-ethenyl-1-ethyl-1,2,4-triazole (PubChem CID 71651539) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-ethenyl-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-ethyl-1,2,4-triazole
PubChem CID71651539
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-ethenyl-1-ethyl-1,2,4-triazole
SMILESC=Cc1ncnn1CC
InChIInChI=1S/C6H9N3/c1-3-6-7-5-8-9(6)4-2/h3,5H,1,4H2,2H3
InChIKeyQBJUWHBGTSAENR-UHFFFAOYSA-N
XLogP0.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-ethyl-1,2,4-triazole (CID 71651539) is 5-ethenyl-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-ethyl-1,2,4-triazole is C=Cc1ncnn1CC.
What is the InChIKey of 5-ethenyl-1-ethyl-1,2,4-triazole?
The InChIKey is QBJUWHBGTSAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-6-7-5-8-9(6)4-2/h3,5H,1,4H2,2H3.
What are the key properties of 5-ethenyl-1-ethyl-1,2,4-triazole?
5-ethenyl-1-ethyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 71651539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).