5-bromo-3-ethanimidoylpyrazin-2-amine

C6H7BrN4 — CID 143774899

IUPAC5-bromo-3-ethanimidoylpyrazin-2-amine
SMILES[H]/N=C(\C)c1nc(Br)cnc1N
InChIInChI=1S/C6H7BrN4/c1-3(8)5-6(9)10-2-4(7)11-5/h2,8H,1H3,(H2,9,10)/b8-3+
InChIKeyYWMBHIBWXFVJLB-FPYGCLRLSA-N
MW215.05 g/mol
LogP1.21
Rot. Bonds1

About 5-bromo-3-ethanimidoylpyrazin-2-amine

5-bromo-3-ethanimidoylpyrazin-2-amine (PubChem CID 143774899) has the molecular formula C6H7BrN4 and a molecular weight of 215.05 g/mol. Its IUPAC name is 5-bromo-3-ethanimidoylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-ethanimidoylpyrazin-2-amine
PubChem CID143774899
Molecular FormulaC6H7BrN4
Molecular Weight215.05 g/mol
Exact Mass213.99
IUPAC Name5-bromo-3-ethanimidoylpyrazin-2-amine
SMILES[H]/N=C(\C)c1nc(Br)cnc1N
InChIInChI=1S/C6H7BrN4/c1-3(8)5-6(9)10-2-4(7)11-5/h2,8H,1H3,(H2,9,10)/b8-3+
InChIKeyYWMBHIBWXFVJLB-FPYGCLRLSA-N
XLogP1.21
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethanimidoylpyrazin-2-amine?
The IUPAC name of 5-bromo-3-ethanimidoylpyrazin-2-amine (CID 143774899) is 5-bromo-3-ethanimidoylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-ethanimidoylpyrazin-2-amine?
The canonical SMILES for 5-bromo-3-ethanimidoylpyrazin-2-amine is [H]/N=C(\C)c1nc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-ethanimidoylpyrazin-2-amine?
The InChIKey is YWMBHIBWXFVJLB-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H7BrN4/c1-3(8)5-6(9)10-2-4(7)11-5/h2,8H,1H3,(H2,9,10)/b8-3+.
What are the key properties of 5-bromo-3-ethanimidoylpyrazin-2-amine?
5-bromo-3-ethanimidoylpyrazin-2-amine has a molecular weight of 215.05 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethanimidoylpyrazin-2-amine is sourced from PubChem (CID 143774899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).