5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine

C14H24N6 — CID 166710982

IUPAC5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cnc(N2CCN(CC/C=C/N)CC2)cn1
InChIInChI=1S/C14H24N6/c1-18(2)13-11-17-14(12-16-13)20-9-7-19(8-10-20)6-4-3-5-15/h3,5,11-12H,4,6-10,15H2,1-2H3/b5-3+
InChIKeySEHMCEXCYWKKTM-HWKANZROSA-N
MW276.39 g/mol
LogP0.53
Rot. Bonds5

About 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine

5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine (PubChem CID 166710982) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
PubChem CID166710982
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cnc(N2CCN(CC/C=C/N)CC2)cn1
InChIInChI=1S/C14H24N6/c1-18(2)13-11-17-14(12-16-13)20-9-7-19(8-10-20)6-4-3-5-15/h3,5,11-12H,4,6-10,15H2,1-2H3/b5-3+
InChIKeySEHMCEXCYWKKTM-HWKANZROSA-N
XLogP0.53
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 115265221
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 83265901
2-methyl-N-[[5-(4-propylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378980
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
2-methyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine
CID 149478332
5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide
CID 107223282
2-[4-[6-(aminomethyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 66451472
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309595
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-amine
CID 80647233

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine (CID 166710982) is 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine is CN(C)c1cnc(N2CCN(CC/C=C/N)CC2)cn1.
What is the InChIKey of 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is SEHMCEXCYWKKTM-HWKANZROSA-N. The full InChI is InChI=1S/C14H24N6/c1-18(2)13-11-17-14(12-16-13)20-9-7-19(8-10-20)6-4-3-5-15/h3,5,11-12H,4,6-10,15H2,1-2H3/b5-3+.
What are the key properties of 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 276.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 166710982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).