1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine

C6H10BrN5 — CID 91691078

IUPAC1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine
SMILESBrc1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C6H10BrN5/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H,9,10,11)
InChIKeyGQSRTTBKEGQYRD-UHFFFAOYSA-N
MW232.08 g/mol
LogP-0.02
Rot. Bonds1

About 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine

1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine (PubChem CID 91691078) has the molecular formula C6H10BrN5 and a molecular weight of 232.08 g/mol. Its IUPAC name is 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine
PubChem CID91691078
Molecular FormulaC6H10BrN5
Molecular Weight232.08 g/mol
Exact Mass231.01
IUPAC Name1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine
SMILESBrc1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C6H10BrN5/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H,9,10,11)
InChIKeyGQSRTTBKEGQYRD-UHFFFAOYSA-N
XLogP-0.02
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine (CID 91691078) is 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine is Brc1nc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine?
The InChIKey is GQSRTTBKEGQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN5/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H,9,10,11).
What are the key properties of 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine?
1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine has a molecular weight of 232.08 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 91691078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).