2-(piperazin-1-ylmethyl)pyrazine

C9H14N4 — CID 43439447

IUPAC2-(piperazin-1-ylmethyl)pyrazine
SMILESc1cnc(CN2CCNCC2)cn1
InChIInChI=1S/C9H14N4/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13/h1-2,7,10H,3-6,8H2
InChIKeyUMSBILFYXUYRGS-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.12
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)pyrazine

2-(piperazin-1-ylmethyl)pyrazine (PubChem CID 43439447) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)pyrazine
PubChem CID43439447
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(piperazin-1-ylmethyl)pyrazine
SMILESc1cnc(CN2CCNCC2)cn1
InChIInChI=1S/C9H14N4/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13/h1-2,7,10H,3-6,8H2
InChIKeyUMSBILFYXUYRGS-UHFFFAOYSA-N
XLogP-0.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)pyrazine?
The IUPAC name of 2-(piperazin-1-ylmethyl)pyrazine (CID 43439447) is 2-(piperazin-1-ylmethyl)pyrazine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)pyrazine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)pyrazine is c1cnc(CN2CCNCC2)cn1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)pyrazine?
The InChIKey is UMSBILFYXUYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13/h1-2,7,10H,3-6,8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)pyrazine?
2-(piperazin-1-ylmethyl)pyrazine has a molecular weight of 178.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)pyrazine is sourced from PubChem (CID 43439447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).