3-amino-6-bromopyrazine-2-carbonitrile

C5H3BrN4 — CID 11052611

IUPAC3-amino-6-bromopyrazine-2-carbonitrile
SMILESN#Cc1nc(Br)cnc1N
InChIInChI=1S/C5H3BrN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChIKeyXXCFWGIRIFRPER-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.69
Rot. Bonds

About 3-amino-6-bromopyrazine-2-carbonitrile

3-amino-6-bromopyrazine-2-carbonitrile (PubChem CID 11052611) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 3-amino-6-bromopyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-bromopyrazine-2-carbonitrile
PubChem CID11052611
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name3-amino-6-bromopyrazine-2-carbonitrile
SMILESN#Cc1nc(Br)cnc1N
InChIInChI=1S/C5H3BrN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChIKeyXXCFWGIRIFRPER-UHFFFAOYSA-N
XLogP0.69
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromopyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-bromopyrazine-2-carbonitrile (CID 11052611) is 3-amino-6-bromopyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-bromopyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-bromopyrazine-2-carbonitrile is N#Cc1nc(Br)cnc1N.
What is the InChIKey of 3-amino-6-bromopyrazine-2-carbonitrile?
The InChIKey is XXCFWGIRIFRPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9).
What are the key properties of 3-amino-6-bromopyrazine-2-carbonitrile?
3-amino-6-bromopyrazine-2-carbonitrile has a molecular weight of 199.01 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromopyrazine-2-carbonitrile is sourced from PubChem (CID 11052611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).