3-bromopyrazin-2-amine

C4H4BrN3 — CID 14735942

IUPAC3-bromopyrazin-2-amine
SMILESNc1nccnc1Br
InChIInChI=1S/C4H4BrN3/c5-3-4(6)8-2-1-7-3/h1-2H,(H2,6,8)
InChIKeyBFEUGUAUYFATRV-UHFFFAOYSA-N
MW174.00 g/mol
LogP0.82
Rot. Bonds

About 3-bromopyrazin-2-amine

3-bromopyrazin-2-amine (PubChem CID 14735942) has the molecular formula C4H4BrN3 and a molecular weight of 174.00 g/mol. Its IUPAC name is 3-bromopyrazin-2-amine.

Molecular Properties

Compound Name3-bromopyrazin-2-amine
PubChem CID14735942
Molecular FormulaC4H4BrN3
Molecular Weight174.00 g/mol
Exact Mass172.96
IUPAC Name3-bromopyrazin-2-amine
SMILESNc1nccnc1Br
InChIInChI=1S/C4H4BrN3/c5-3-4(6)8-2-1-7-3/h1-2H,(H2,6,8)
InChIKeyBFEUGUAUYFATRV-UHFFFAOYSA-N
XLogP0.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.00
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromopyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazin-2-amine?
The IUPAC name of 3-bromopyrazin-2-amine (CID 14735942) is 3-bromopyrazin-2-amine.
What is the SMILES notation for 3-bromopyrazin-2-amine?
The canonical SMILES for 3-bromopyrazin-2-amine is Nc1nccnc1Br.
What is the InChIKey of 3-bromopyrazin-2-amine?
The InChIKey is BFEUGUAUYFATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3/c5-3-4(6)8-2-1-7-3/h1-2H,(H2,6,8).
What are the key properties of 3-bromopyrazin-2-amine?
3-bromopyrazin-2-amine has a molecular weight of 174.00 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrazin-2-amine is sourced from PubChem (CID 14735942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).