3,4-bis(ethenyl)-1,2,4-triazole

C6H7N3 — CID 139543293

IUPAC3,4-bis(ethenyl)-1,2,4-triazole
SMILESC=Cc1nncn1C=C
InChIInChI=1S/C6H7N3/c1-3-6-8-7-5-9(6)4-2/h3-5H,1-2H2
InChIKeyBPVVTICLXGVTBX-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds2

About 3,4-bis(ethenyl)-1,2,4-triazole

3,4-bis(ethenyl)-1,2,4-triazole (PubChem CID 139543293) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1,2,4-triazole
PubChem CID139543293
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name3,4-bis(ethenyl)-1,2,4-triazole
SMILESC=Cc1nncn1C=C
InChIInChI=1S/C6H7N3/c1-3-6-8-7-5-9(6)4-2/h3-5H,1-2H2
InChIKeyBPVVTICLXGVTBX-UHFFFAOYSA-N
XLogP1.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1,2,4-triazole?
The IUPAC name of 3,4-bis(ethenyl)-1,2,4-triazole (CID 139543293) is 3,4-bis(ethenyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-bis(ethenyl)-1,2,4-triazole?
The canonical SMILES for 3,4-bis(ethenyl)-1,2,4-triazole is C=Cc1nncn1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-1,2,4-triazole?
The InChIKey is BPVVTICLXGVTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-3-6-8-7-5-9(6)4-2/h3-5H,1-2H2.
What are the key properties of 3,4-bis(ethenyl)-1,2,4-triazole?
3,4-bis(ethenyl)-1,2,4-triazole has a molecular weight of 121.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1,2,4-triazole is sourced from PubChem (CID 139543293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).