N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine

C12H12BrN3O — CID 133276769

IUPACN-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine
SMILESBrc1ccc(OCCNc2cnccn2)cc1
InChIInChI=1S/C12H12BrN3O/c13-10-1-3-11(4-2-10)17-8-7-16-12-9-14-5-6-15-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyFBNICZVQIGVVJR-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine

N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine (PubChem CID 133276769) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine
PubChem CID133276769
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine
SMILESBrc1ccc(OCCNc2cnccn2)cc1
InChIInChI=1S/C12H12BrN3O/c13-10-1-3-11(4-2-10)17-8-7-16-12-9-14-5-6-15-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyFBNICZVQIGVVJR-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.73
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 N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine (CID 133276769) is N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine is Brc1ccc(OCCNc2cnccn2)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine?
The InChIKey is FBNICZVQIGVVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-1-3-11(4-2-10)17-8-7-16-12-9-14-5-6-15-12/h1-6,9H,7-8H2,(H,15,16).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine?
N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133276769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).