2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine

C7H9BrN4 — CID 115599192

IUPAC2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine
SMILESC=C(Br)CNc1cncc(N)n1
InChIInChI=1S/C7H9BrN4/c1-5(8)2-11-7-4-10-3-6(9)12-7/h3-4H,1-2H2,(H3,9,11,12)
InChIKeyKORVVFLGYDRPJM-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.38
Rot. Bonds3

About 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine

2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine (PubChem CID 115599192) has the molecular formula C7H9BrN4 and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine
PubChem CID115599192
Molecular FormulaC7H9BrN4
Molecular Weight229.08 g/mol
Exact Mass228.00
IUPAC Name2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine
SMILESC=C(Br)CNc1cncc(N)n1
InChIInChI=1S/C7H9BrN4/c1-5(8)2-11-7-4-10-3-6(9)12-7/h3-4H,1-2H2,(H3,9,11,12)
InChIKeyKORVVFLGYDRPJM-UHFFFAOYSA-N
XLogP1.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine (CID 115599192) is 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine is C=C(Br)CNc1cncc(N)n1.
What is the InChIKey of 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine?
The InChIKey is KORVVFLGYDRPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4/c1-5(8)2-11-7-4-10-3-6(9)12-7/h3-4H,1-2H2,(H3,9,11,12).
What are the key properties of 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine?
2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine has a molecular weight of 229.08 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromoprop-2-enyl)pyrazine-2,6-diamine is sourced from PubChem (CID 115599192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).