5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine

C8H10BrN7 — CID 141309977

IUPAC5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine
SMILESBrc1cnc(N2CCNCC2)c2nnnn12
InChIInChI=1S/C8H10BrN7/c9-6-5-11-7(8-12-13-14-16(6)8)15-3-1-10-2-4-15/h5,10H,1-4H2
InChIKeyQPOHJYMHXDAXGX-UHFFFAOYSA-N
MW284.12 g/mol
LogP-0.31
Rot. Bonds1

About 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine

5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine (PubChem CID 141309977) has the molecular formula C8H10BrN7 and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine
PubChem CID141309977
Molecular FormulaC8H10BrN7
Molecular Weight284.12 g/mol
Exact Mass283.02
IUPAC Name5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine
SMILESBrc1cnc(N2CCNCC2)c2nnnn12
InChIInChI=1S/C8H10BrN7/c9-6-5-11-7(8-12-13-14-16(6)8)15-3-1-10-2-4-15/h5,10H,1-4H2
InChIKeyQPOHJYMHXDAXGX-UHFFFAOYSA-N
XLogP-0.31
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine (CID 141309977) is 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine is Brc1cnc(N2CCNCC2)c2nnnn12.
What is the InChIKey of 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine?
The InChIKey is QPOHJYMHXDAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN7/c9-6-5-11-7(8-12-13-14-16(6)8)15-3-1-10-2-4-15/h5,10H,1-4H2.
What are the key properties of 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine?
5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine has a molecular weight of 284.12 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-piperazin-1-yltetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 141309977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).