2,3-dimethylpiperazine-2,3-dicarbonitrile

C8H12N4 — CID 3030123

IUPAC2,3-dimethylpiperazine-2,3-dicarbonitrile
SMILESCC1(C#N)NCCNC1(C)C#N
InChIInChI=1S/C8H12N4/c1-7(5-9)8(2,6-10)12-4-3-11-7/h11-12H,3-4H2,1-2H3
InChIKeyHHQGAGWDEAKOBY-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.26
Rot. Bonds

About 2,3-dimethylpiperazine-2,3-dicarbonitrile

2,3-dimethylpiperazine-2,3-dicarbonitrile (PubChem CID 3030123) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3-dimethylpiperazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name2,3-dimethylpiperazine-2,3-dicarbonitrile
PubChem CID3030123
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2,3-dimethylpiperazine-2,3-dicarbonitrile
SMILESCC1(C#N)NCCNC1(C)C#N
InChIInChI=1S/C8H12N4/c1-7(5-9)8(2,6-10)12-4-3-11-7/h11-12H,3-4H2,1-2H3
InChIKeyHHQGAGWDEAKOBY-UHFFFAOYSA-N
XLogP-0.26
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpiperazine-2,3-dicarbonitrile?
The IUPAC name of 2,3-dimethylpiperazine-2,3-dicarbonitrile (CID 3030123) is 2,3-dimethylpiperazine-2,3-dicarbonitrile.
What is the SMILES notation for 2,3-dimethylpiperazine-2,3-dicarbonitrile?
The canonical SMILES for 2,3-dimethylpiperazine-2,3-dicarbonitrile is CC1(C#N)NCCNC1(C)C#N.
What is the InChIKey of 2,3-dimethylpiperazine-2,3-dicarbonitrile?
The InChIKey is HHQGAGWDEAKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-7(5-9)8(2,6-10)12-4-3-11-7/h11-12H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethylpiperazine-2,3-dicarbonitrile?
2,3-dimethylpiperazine-2,3-dicarbonitrile has a molecular weight of 164.21 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpiperazine-2,3-dicarbonitrile is sourced from PubChem (CID 3030123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).