1-ethenyltriazole

C4H5N3 — CID 11309474

IUPAC1-ethenyltriazole
SMILESC=Cn1ccnn1
InChIInChI=1S/C4H5N3/c1-2-7-4-3-5-6-7/h2-4H,1H2
InChIKeyGIVBQSUFWURSOS-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.38
Rot. Bonds1

About 1-ethenyltriazole

1-ethenyltriazole (PubChem CID 11309474) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 1-ethenyltriazole.

Molecular Properties

Compound Name1-ethenyltriazole
PubChem CID11309474
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name1-ethenyltriazole
SMILESC=Cn1ccnn1
InChIInChI=1S/C4H5N3/c1-2-7-4-3-5-6-7/h2-4H,1H2
InChIKeyGIVBQSUFWURSOS-UHFFFAOYSA-N
XLogP0.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyltriazole?
The IUPAC name of 1-ethenyltriazole (CID 11309474) is 1-ethenyltriazole.
What is the SMILES notation for 1-ethenyltriazole?
The canonical SMILES for 1-ethenyltriazole is C=Cn1ccnn1.
What is the InChIKey of 1-ethenyltriazole?
The InChIKey is GIVBQSUFWURSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c1-2-7-4-3-5-6-7/h2-4H,1H2.
What are the key properties of 1-ethenyltriazole?
1-ethenyltriazole has a molecular weight of 95.10 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyltriazole is sourced from PubChem (CID 11309474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).