2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine

C6H14N3+ — CID 23062916

IUPAC2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine
SMILESNCC[N+]1=CCNCC1
InChIInChI=1S/C6H14N3/c7-1-4-9-5-2-8-3-6-9/h5,8H,1-4,6-7H2/q+1
InChIKeyDPQAAZGKKWWQEJ-UHFFFAOYSA-N
MW128.20 g/mol
LogP-1.37
Rot. Bonds2

About 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine

2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine (PubChem CID 23062916) has the molecular formula C6H14N3+ and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine
PubChem CID23062916
Molecular FormulaC6H14N3+
Molecular Weight128.20 g/mol
Exact Mass128.12
IUPAC Name2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine
SMILESNCC[N+]1=CCNCC1
InChIInChI=1S/C6H14N3/c7-1-4-9-5-2-8-3-6-9/h5,8H,1-4,6-7H2/q+1
InChIKeyDPQAAZGKKWWQEJ-UHFFFAOYSA-N
XLogP-1.37
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine?
The IUPAC name of 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine (CID 23062916) is 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine is NCC[N+]1=CCNCC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine?
The InChIKey is DPQAAZGKKWWQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3/c7-1-4-9-5-2-8-3-6-9/h5,8H,1-4,6-7H2/q+1.
What are the key properties of 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine?
2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine has a molecular weight of 128.20 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyrazin-4-ium-4-yl)ethanamine is sourced from PubChem (CID 23062916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).