1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole

C6H6N6 — CID 162701152

IUPAC1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole
SMILESC=C(n1cncn1)n1cncn1
InChIInChI=1S/C6H6N6/c1-6(11-4-7-2-9-11)12-5-8-3-10-12/h2-5H,1H2
InChIKeyGGOOGXBZMJGDIW-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.34
Rot. Bonds2

About 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole

1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole (PubChem CID 162701152) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole
PubChem CID162701152
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole
SMILESC=C(n1cncn1)n1cncn1
InChIInChI=1S/C6H6N6/c1-6(11-4-7-2-9-11)12-5-8-3-10-12/h2-5H,1H2
InChIKeyGGOOGXBZMJGDIW-UHFFFAOYSA-N
XLogP-0.34
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole?
The IUPAC name of 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole (CID 162701152) is 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole is C=C(n1cncn1)n1cncn1.
What is the InChIKey of 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole?
The InChIKey is GGOOGXBZMJGDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c1-6(11-4-7-2-9-11)12-5-8-3-10-12/h2-5H,1H2.
What are the key properties of 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole?
1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole has a molecular weight of 162.16 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-triazol-1-yl)ethenyl]-1,2,4-triazole is sourced from PubChem (CID 162701152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).