3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine

C8H12BrN3O — CID 118045272

IUPAC3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine
SMILESCCOCCc1cnc(N)c(Br)n1
InChIInChI=1S/C8H12BrN3O/c1-2-13-4-3-6-5-11-8(10)7(9)12-6/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyHLADGLJUGXCQRS-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.40
Rot. Bonds4

About 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine

3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine (PubChem CID 118045272) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine
PubChem CID118045272
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine
SMILESCCOCCc1cnc(N)c(Br)n1
InChIInChI=1S/C8H12BrN3O/c1-2-13-4-3-6-5-11-8(10)7(9)12-6/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyHLADGLJUGXCQRS-UHFFFAOYSA-N
XLogP1.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine (CID 118045272) is 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine is CCOCCc1cnc(N)c(Br)n1.
What is the InChIKey of 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine?
The InChIKey is HLADGLJUGXCQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-2-13-4-3-6-5-11-8(10)7(9)12-6/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine?
3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine has a molecular weight of 246.11 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-ethoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 118045272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).