3,5-dibromo-N,N-diethylpyrazin-2-amine

C8H11Br2N3 — CID 87371010

IUPAC3,5-dibromo-N,N-diethylpyrazin-2-amine
SMILESCCN(CC)c1ncc(Br)nc1Br
InChIInChI=1S/C8H11Br2N3/c1-3-13(4-2)8-7(10)12-6(9)5-11-8/h5H,3-4H2,1-2H3
InChIKeyWGTPQLVSXKMUJE-UHFFFAOYSA-N
MW309.01 g/mol
LogP2.85
Rot. Bonds3

About 3,5-dibromo-N,N-diethylpyrazin-2-amine

3,5-dibromo-N,N-diethylpyrazin-2-amine (PubChem CID 87371010) has the molecular formula C8H11Br2N3 and a molecular weight of 309.01 g/mol. Its IUPAC name is 3,5-dibromo-N,N-diethylpyrazin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N,N-diethylpyrazin-2-amine
PubChem CID87371010
Molecular FormulaC8H11Br2N3
Molecular Weight309.01 g/mol
Exact Mass306.93
IUPAC Name3,5-dibromo-N,N-diethylpyrazin-2-amine
SMILESCCN(CC)c1ncc(Br)nc1Br
InChIInChI=1S/C8H11Br2N3/c1-3-13(4-2)8-7(10)12-6(9)5-11-8/h5H,3-4H2,1-2H3
InChIKeyWGTPQLVSXKMUJE-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.01
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N,N-diethylpyrazin-2-amine?
The IUPAC name of 3,5-dibromo-N,N-diethylpyrazin-2-amine (CID 87371010) is 3,5-dibromo-N,N-diethylpyrazin-2-amine.
What is the SMILES notation for 3,5-dibromo-N,N-diethylpyrazin-2-amine?
The canonical SMILES for 3,5-dibromo-N,N-diethylpyrazin-2-amine is CCN(CC)c1ncc(Br)nc1Br.
What is the InChIKey of 3,5-dibromo-N,N-diethylpyrazin-2-amine?
The InChIKey is WGTPQLVSXKMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2N3/c1-3-13(4-2)8-7(10)12-6(9)5-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 3,5-dibromo-N,N-diethylpyrazin-2-amine?
3,5-dibromo-N,N-diethylpyrazin-2-amine has a molecular weight of 309.01 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N,N-diethylpyrazin-2-amine is sourced from PubChem (CID 87371010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).