5-bromopyrazine-2,3-diamine

C4H5BrN4 — CID 2771857

IUPAC5-bromopyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1N
InChIInChI=1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9)
InChIKeyCPYAUFLEMLTQAA-UHFFFAOYSA-N
MW189.02 g/mol
LogP0.40
Rot. Bonds

About 5-bromopyrazine-2,3-diamine

5-bromopyrazine-2,3-diamine (PubChem CID 2771857) has the molecular formula C4H5BrN4 and a molecular weight of 189.02 g/mol. Its IUPAC name is 5-bromopyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromopyrazine-2,3-diamine
PubChem CID2771857
Molecular FormulaC4H5BrN4
Molecular Weight189.02 g/mol
Exact Mass187.97
IUPAC Name5-bromopyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1N
InChIInChI=1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9)
InChIKeyCPYAUFLEMLTQAA-UHFFFAOYSA-N
XLogP0.40
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrazine-2,3-diamine?
The IUPAC name of 5-bromopyrazine-2,3-diamine (CID 2771857) is 5-bromopyrazine-2,3-diamine.
What is the SMILES notation for 5-bromopyrazine-2,3-diamine?
The canonical SMILES for 5-bromopyrazine-2,3-diamine is Nc1ncc(Br)nc1N.
What is the InChIKey of 5-bromopyrazine-2,3-diamine?
The InChIKey is CPYAUFLEMLTQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9).
What are the key properties of 5-bromopyrazine-2,3-diamine?
5-bromopyrazine-2,3-diamine has a molecular weight of 189.02 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrazine-2,3-diamine is sourced from PubChem (CID 2771857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).