3-Amino-6-bromopyrazine-2-carbonitrile

CAS 17231-51-5  ·  C5H3BrN4  ·  MW 199.01 g/mol

Full record: 3-Amino-6-bromopyrazine-2-carbonitrile — Safety Data Sheet →

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3D model 3-Amino-6-bromopyrazine-2-carbonitrile, CAS 17231-51-5, molecular formula C5H3BrN4, molar mass 199.01 g/mol

Model views

  • 3-Amino-6-bromopyrazine-2-carbonitrile (CAS 17231-51-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 3-Amino-6-bromopyrazine-2-carbonitrile (CAS 17231-51-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 3-Amino-6-bromopyrazine-2-carbonitrile (CAS 17231-51-5) – 2D structure, MolGod Viewer
    2D structure

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3-Amino-6-bromopyrazine-2-carbonitrile, C5H3BrN4, CAS 17231-51-5 - 3D molecular model
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About 3-Amino-6-bromopyrazine-2-carbonitrile

3-Amino-6-bromopyrazine-2-carbonitrile is a chemical compound registered under number CAS 17231-51-5, with the molecular formula C5H3BrN4, and a molar mass of 199.01 g/mol.

The molecule contains 13 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 3-amino-6-bromopyrazine-2-carbonitrile. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 75.6 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC5H3BrN4
Molar mass199.01 g/mol
IUPAC3-amino-6-bromopyrazine-2-carbonitrile
SMILESC1=C(N=C(C(=N1)N)C#N)Br
InChIKeyXXCFWGIRIFRPER-UHFFFAOYSA-N
logP (XLogP3)1.1
PSA75.6 Ų
HBD / HBA1 / 4
PubChem CIDCID 11052611 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H302 — Harmful if swallowed

H318 — Causes serious eye damage

Scientific literature

Brak articles naukowych dla CAS 17231-51-5 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
3-amino-6-bromopyrazine-2-carbonitrile · 17231-51-5 · RefChem:276571 · DTXCID80404249 · 3-amino-6-bromo-pyrazine-2-carbonitrile · MFCD06658300 · 3-amino-6-bromo-2-pyrazinecarbonitrile · Pyrazinecarbonitrile, 3-amino-6-bromo- · 2-amino-3-cyano-5-bromopyrazine · 2-AMINO-5-BROMO-3-CYANOPYRAZINE · SCHEMBL618039 · XXCFWGIRIFRPER-UHFFFAOYSA-N · AB1036 · SBB092405 · AKOS006291812
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
3-Amino-6-bromopyrazine-2-carbonitrile · 17231-51-5
InChIKey
XXCFWGIRIFRPER-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 3-Amino-6-bromopyrazine-2-carbonitrile (CAS 17231-51-5)
License & provenance record
3-Amino-6-bromopyrazine-2-carbonitrile (CAS 17231-51-5) →
MolGod molecule record
3-Amino-6-bromopyrazine-2-carbonitrile →
Source data
PubChem CID 11052611 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
6207143684677bd492560713b7da5d6cb02d350a2194edc52dedd06a84d868f9
MD5 (STL)
01c4e7c389b8b1dd2809b829f80e7707
MolGod Identification Number
MG_623-698-364-86
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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