3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile

C11H12N6 — CID 57398119

IUPAC3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
SMILESCN1CCN(c2nc(C#N)cnc2C#N)CC1
InChIInChI=1S/C11H12N6/c1-16-2-4-17(5-3-16)11-10(7-13)14-8-9(6-12)15-11/h8H,2-5H2,1H3
InChIKeyMQAMFFGKLBSLHT-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.03
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile

3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile (PubChem CID 57398119) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
PubChem CID57398119
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
SMILESCN1CCN(c2nc(C#N)cnc2C#N)CC1
InChIInChI=1S/C11H12N6/c1-16-2-4-17(5-3-16)11-10(7-13)14-8-9(6-12)15-11/h8H,2-5H2,1H3
InChIKeyMQAMFFGKLBSLHT-UHFFFAOYSA-N
XLogP-0.03
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile (CID 57398119) is 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile is CN1CCN(c2nc(C#N)cnc2C#N)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile?
The InChIKey is MQAMFFGKLBSLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-16-2-4-17(5-3-16)11-10(7-13)14-8-9(6-12)15-11/h8H,2-5H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile?
3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile has a molecular weight of 228.26 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57398119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).