6-bromopyrazin-2-amine

C4H4BrN3 — CID 12693182

IUPAC6-bromopyrazin-2-amine
SMILESNc1cncc(Br)n1
InChIInChI=1S/C4H4BrN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
InChIKeySBBQFRYIMUUNFT-UHFFFAOYSA-N
MW174.00 g/mol
LogP0.82
Rot. Bonds

About 6-bromopyrazin-2-amine

6-bromopyrazin-2-amine (PubChem CID 12693182) has the molecular formula C4H4BrN3 and a molecular weight of 174.00 g/mol. Its IUPAC name is 6-bromopyrazin-2-amine.

Molecular Properties

Compound Name6-bromopyrazin-2-amine
PubChem CID12693182
Molecular FormulaC4H4BrN3
Molecular Weight174.00 g/mol
Exact Mass172.96
IUPAC Name6-bromopyrazin-2-amine
SMILESNc1cncc(Br)n1
InChIInChI=1S/C4H4BrN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
InChIKeySBBQFRYIMUUNFT-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyrazin-2-amine?
The IUPAC name of 6-bromopyrazin-2-amine (CID 12693182) is 6-bromopyrazin-2-amine.
What is the SMILES notation for 6-bromopyrazin-2-amine?
The canonical SMILES for 6-bromopyrazin-2-amine is Nc1cncc(Br)n1.
What is the InChIKey of 6-bromopyrazin-2-amine?
The InChIKey is SBBQFRYIMUUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8).
What are the key properties of 6-bromopyrazin-2-amine?
6-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 6-bromopyrazin-2-amine is sourced from PubChem (CID 12693182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).