1,3-bis(triazol-1-yl)piperazine

C8H12N8 — CID 166794111

IUPAC1,3-bis(triazol-1-yl)piperazine
SMILESc1cn(C2CN(n3ccnn3)CCN2)nn1
InChIInChI=1S/C8H12N8/c1-4-14(16-6-3-11-13-16)7-8(9-1)15-5-2-10-12-15/h2-3,5-6,8-9H,1,4,7H2
InChIKeyFMPIYMCQBHDGSL-UHFFFAOYSA-N
MW220.24 g/mol
LogP-1.39
Rot. Bonds2

About 1,3-bis(triazol-1-yl)piperazine

1,3-bis(triazol-1-yl)piperazine (PubChem CID 166794111) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1,3-bis(triazol-1-yl)piperazine.

Molecular Properties

Compound Name1,3-bis(triazol-1-yl)piperazine
PubChem CID166794111
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1,3-bis(triazol-1-yl)piperazine
SMILESc1cn(C2CN(n3ccnn3)CCN2)nn1
InChIInChI=1S/C8H12N8/c1-4-14(16-6-3-11-13-16)7-8(9-1)15-5-2-10-12-15/h2-3,5-6,8-9H,1,4,7H2
InChIKeyFMPIYMCQBHDGSL-UHFFFAOYSA-N
XLogP-1.39
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(triazol-1-yl)piperazine?
The IUPAC name of 1,3-bis(triazol-1-yl)piperazine (CID 166794111) is 1,3-bis(triazol-1-yl)piperazine.
What is the SMILES notation for 1,3-bis(triazol-1-yl)piperazine?
The canonical SMILES for 1,3-bis(triazol-1-yl)piperazine is c1cn(C2CN(n3ccnn3)CCN2)nn1.
What is the InChIKey of 1,3-bis(triazol-1-yl)piperazine?
The InChIKey is FMPIYMCQBHDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c1-4-14(16-6-3-11-13-16)7-8(9-1)15-5-2-10-12-15/h2-3,5-6,8-9H,1,4,7H2.
What are the key properties of 1,3-bis(triazol-1-yl)piperazine?
1,3-bis(triazol-1-yl)piperazine has a molecular weight of 220.24 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(triazol-1-yl)piperazine is sourced from PubChem (CID 166794111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).