2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride

C9H17Cl3N4 — CID 126805766

IUPAC2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride
SMILESCl.Cl.Cl.c1cnc(CN2CCNCC2)cn1
InChIInChI=1S/C9H14N4.3ClH/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13;;;/h1-2,7,10H,3-6,8H2;3*1H
InChIKeyTUCZHTCUYAFECE-UHFFFAOYSA-N
MW287.62 g/mol
LogP1.15
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride

2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride (PubChem CID 126805766) has the molecular formula C9H17Cl3N4 and a molecular weight of 287.62 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride
PubChem CID126805766
Molecular FormulaC9H17Cl3N4
Molecular Weight287.62 g/mol
Exact Mass286.05
IUPAC Name2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride
SMILESCl.Cl.Cl.c1cnc(CN2CCNCC2)cn1
InChIInChI=1S/C9H14N4.3ClH/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13;;;/h1-2,7,10H,3-6,8H2;3*1H
InChIKeyTUCZHTCUYAFECE-UHFFFAOYSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 51.15
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;trihydrochloride?
The IUPAC name of 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride (CID 126805766) is 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride?
The canonical SMILES for 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride is Cl.Cl.Cl.c1cnc(CN2CCNCC2)cn1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride?
The InChIKey is TUCZHTCUYAFECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.3ClH/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13;;;/h1-2,7,10H,3-6,8H2;3*1H.
What are the key properties of 2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride?
2-(piperazin-1-ylmethyl)pyrazine;trihydrochloride has a molecular weight of 287.62 g/mol, XLogP of 1.15, 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;trihydrochloride is sourced from PubChem (CID 126805766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).