2-chloropyrazine;trihydrochloride

C4H6Cl4N2 — CID 175594254

IUPAC2-chloropyrazine;trihydrochloride
SMILESCl.Cl.Cl.Clc1cnccn1
InChIInChI=1S/C4H3ClN2.3ClH/c5-4-3-6-1-2-7-4;;;/h1-3H;3*1H
InChIKeyDUZIYYBKBKFYDR-UHFFFAOYSA-N
MW223.92 g/mol
LogP2.40
Rot. Bonds

About 2-chloropyrazine;trihydrochloride

2-chloropyrazine;trihydrochloride (PubChem CID 175594254) has the molecular formula C4H6Cl4N2 and a molecular weight of 223.92 g/mol. Its IUPAC name is 2-chloropyrazine;trihydrochloride.

Molecular Properties

Compound Name2-chloropyrazine;trihydrochloride
PubChem CID175594254
Molecular FormulaC4H6Cl4N2
Molecular Weight223.92 g/mol
Exact Mass221.93
IUPAC Name2-chloropyrazine;trihydrochloride
SMILESCl.Cl.Cl.Clc1cnccn1
InChIInChI=1S/C4H3ClN2.3ClH/c5-4-3-6-1-2-7-4;;;/h1-3H;3*1H
InChIKeyDUZIYYBKBKFYDR-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.92
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrazine;trihydrochloride?
The IUPAC name of 2-chloropyrazine;trihydrochloride (CID 175594254) is 2-chloropyrazine;trihydrochloride.
What is the SMILES notation for 2-chloropyrazine;trihydrochloride?
The canonical SMILES for 2-chloropyrazine;trihydrochloride is Cl.Cl.Cl.Clc1cnccn1.
What is the InChIKey of 2-chloropyrazine;trihydrochloride?
The InChIKey is DUZIYYBKBKFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2.3ClH/c5-4-3-6-1-2-7-4;;;/h1-3H;3*1H.
What are the key properties of 2-chloropyrazine;trihydrochloride?
2-chloropyrazine;trihydrochloride has a molecular weight of 223.92 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrazine;trihydrochloride is sourced from PubChem (CID 175594254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).