5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole

C6H8N6 — CID 54489630

IUPAC5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole
SMILESc1n[nH]c(CCc2ncn[nH]2)n1
InChIInChI=1S/C6H8N6/c1(5-7-3-9-11-5)2-6-8-4-10-12-6/h3-4H,1-2H2,(H,7,9,11)(H,8,10,12)
InChIKeyRZYDLVDZJFHULI-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.29
Rot. Bonds3

About 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole

5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole (PubChem CID 54489630) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole
PubChem CID54489630
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole
SMILESc1n[nH]c(CCc2ncn[nH]2)n1
InChIInChI=1S/C6H8N6/c1(5-7-3-9-11-5)2-6-8-4-10-12-6/h3-4H,1-2H2,(H,7,9,11)(H,8,10,12)
InChIKeyRZYDLVDZJFHULI-UHFFFAOYSA-N
XLogP-0.29
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole (CID 54489630) is 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole is c1n[nH]c(CCc2ncn[nH]2)n1.
What is the InChIKey of 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole?
The InChIKey is RZYDLVDZJFHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1(5-7-3-9-11-5)2-6-8-4-10-12-6/h3-4H,1-2H2,(H,7,9,11)(H,8,10,12).
What are the key properties of 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole?
5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole has a molecular weight of 164.17 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 54489630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).