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

C₁₄H₂₄N₆ — CID 166710982

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 Name: 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
• PubChem CID: 166710982
• Molecular Formula: C₁₄H₂₄N₆
• Molecular Weight: 276.39 g/mol
• Exact Mass: 276.21
• IUPAC Name: 5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
• SMILES: CN(C)c1cnc(N2CCN(CC/C=C/N)CC2)cn1
• InChI: 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+
• InChIKey: SEHMCEXCYWKKTM-HWKANZROSA-N
• XLogP: 0.53
• TPSA: 61.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.39
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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).

Sources

• PubChem CID 166710982 — identifiers, structure, computed properties (public domain)

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