3,5-dibromopyrazin-2-amine

C4H3Br2N3 — CID 620004

IUPAC3,5-dibromopyrazin-2-amine
SMILESNc1ncc(Br)nc1Br
InChIInChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKeyDTLBKXRFWUERQN-UHFFFAOYSA-N
MW252.90 g/mol
LogP1.58
Rot. Bonds

About 3,5-dibromopyrazin-2-amine

3,5-dibromopyrazin-2-amine (PubChem CID 620004) has the molecular formula C4H3Br2N3 and a molecular weight of 252.90 g/mol. Its IUPAC name is 3,5-dibromopyrazin-2-amine.

Molecular Properties

Compound Name3,5-dibromopyrazin-2-amine
PubChem CID620004
Molecular FormulaC4H3Br2N3
Molecular Weight252.90 g/mol
Exact Mass250.87
IUPAC Name3,5-dibromopyrazin-2-amine
SMILESNc1ncc(Br)nc1Br
InChIInChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKeyDTLBKXRFWUERQN-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.90
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromopyrazin-2-amine?
The IUPAC name of 3,5-dibromopyrazin-2-amine (CID 620004) is 3,5-dibromopyrazin-2-amine.
What is the SMILES notation for 3,5-dibromopyrazin-2-amine?
The canonical SMILES for 3,5-dibromopyrazin-2-amine is Nc1ncc(Br)nc1Br.
What is the InChIKey of 3,5-dibromopyrazin-2-amine?
The InChIKey is DTLBKXRFWUERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8).
What are the key properties of 3,5-dibromopyrazin-2-amine?
3,5-dibromopyrazin-2-amine has a molecular weight of 252.90 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromopyrazin-2-amine is sourced from PubChem (CID 620004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).