1-methylpiperazine;oxalonitrile

C7H12N4 — CID 174499806

IUPAC1-methylpiperazine;oxalonitrile
SMILESCN1CCNCC1.N#CC#N
InChIInChI=1S/C5H12N2.C2N2/c1-7-4-2-6-3-5-7;3-1-2-4/h6H,2-5H2,1H3;
InChIKeyMJGOQZMMZXWLDE-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.45
Rot. Bonds

About 1-methylpiperazine;oxalonitrile

1-methylpiperazine;oxalonitrile (PubChem CID 174499806) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methylpiperazine;oxalonitrile.

Molecular Properties

Compound Name1-methylpiperazine;oxalonitrile
PubChem CID174499806
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-methylpiperazine;oxalonitrile
SMILESCN1CCNCC1.N#CC#N
InChIInChI=1S/C5H12N2.C2N2/c1-7-4-2-6-3-5-7;3-1-2-4/h6H,2-5H2,1H3;
InChIKeyMJGOQZMMZXWLDE-UHFFFAOYSA-N
XLogP-0.45
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylpiperazine;hydrate
CID 23128681
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;oxalonitrile?
The IUPAC name of 1-methylpiperazine;oxalonitrile (CID 174499806) is 1-methylpiperazine;oxalonitrile.
What is the SMILES notation for 1-methylpiperazine;oxalonitrile?
The canonical SMILES for 1-methylpiperazine;oxalonitrile is CN1CCNCC1.N#CC#N.
What is the InChIKey of 1-methylpiperazine;oxalonitrile?
The InChIKey is MJGOQZMMZXWLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2N2/c1-7-4-2-6-3-5-7;3-1-2-4/h6H,2-5H2,1H3;.
What are the key properties of 1-methylpiperazine;oxalonitrile?
1-methylpiperazine;oxalonitrile has a molecular weight of 152.20 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;oxalonitrile is sourced from PubChem (CID 174499806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).