5-bromopyrazin-2-amine

C4H4BrN3 — CID 599539

IUPAC5-bromopyrazin-2-amine
SMILESNc1cnc(Br)cn1
InChIInChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8)
InChIKeyKRRTXVSBTPCDOS-UHFFFAOYSA-N
MW174.00 g/mol
LogP0.82
Rot. Bonds

About 5-bromopyrazin-2-amine

5-bromopyrazin-2-amine (PubChem CID 599539) has the molecular formula C4H4BrN3 and a molecular weight of 174.00 g/mol. Its IUPAC name is 5-bromopyrazin-2-amine.

Molecular Properties

Compound Name5-bromopyrazin-2-amine
PubChem CID599539
Molecular FormulaC4H4BrN3
Molecular Weight174.00 g/mol
Exact Mass172.96
IUPAC Name5-bromopyrazin-2-amine
SMILESNc1cnc(Br)cn1
InChIInChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8)
InChIKeyKRRTXVSBTPCDOS-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 5-bromopyrazin-2-amine?
The IUPAC name of 5-bromopyrazin-2-amine (CID 599539) is 5-bromopyrazin-2-amine.
What is the SMILES notation for 5-bromopyrazin-2-amine?
The canonical SMILES for 5-bromopyrazin-2-amine is Nc1cnc(Br)cn1.
What is the InChIKey of 5-bromopyrazin-2-amine?
The InChIKey is KRRTXVSBTPCDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8).
What are the key properties of 5-bromopyrazin-2-amine?
5-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 5-bromopyrazin-2-amine is sourced from PubChem (CID 599539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).