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

C6H8N6 — CID 683665

IUPAC1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
SMILESc1ncn(CCn2cncn2)n1
InChIInChI=1S/C6H8N6/c1(11-5-7-3-9-11)2-12-6-8-4-10-12/h3-6H,1-2H2
InChIKeyLUOXFPFERXZJIU-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.43
Rot. Bonds3

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

1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole (PubChem CID 683665) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
PubChem CID683665
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
SMILESc1ncn(CCn2cncn2)n1
InChIInChI=1S/C6H8N6/c1(11-5-7-3-9-11)2-12-6-8-4-10-12/h3-6H,1-2H2
InChIKeyLUOXFPFERXZJIU-UHFFFAOYSA-N
XLogP-0.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole (CID 683665) is 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole is c1ncn(CCn2cncn2)n1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole?
The InChIKey is LUOXFPFERXZJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1(11-5-7-3-9-11)2-12-6-8-4-10-12/h3-6H,1-2H2.
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole?
1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole has a molecular weight of 164.17 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 683665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).