2-bromo-3-cyclopropyl-1,2-dihydropyrazine

C7H9BrN2 — CID 151072811

IUPAC2-bromo-3-cyclopropyl-1,2-dihydropyrazine
SMILESBrC1NC=CN=C1C1CC1
InChIInChI=1S/C7H9BrN2/c8-7-6(5-1-2-5)9-3-4-10-7/h3-5,7,10H,1-2H2
InChIKeyMIMHUSCRKOZBJM-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.63
Rot. Bonds1

About 2-bromo-3-cyclopropyl-1,2-dihydropyrazine

2-bromo-3-cyclopropyl-1,2-dihydropyrazine (PubChem CID 151072811) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-bromo-3-cyclopropyl-1,2-dihydropyrazine.

Molecular Properties

Compound Name2-bromo-3-cyclopropyl-1,2-dihydropyrazine
PubChem CID151072811
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-bromo-3-cyclopropyl-1,2-dihydropyrazine
SMILESBrC1NC=CN=C1C1CC1
InChIInChI=1S/C7H9BrN2/c8-7-6(5-1-2-5)9-3-4-10-7/h3-5,7,10H,1-2H2
InChIKeyMIMHUSCRKOZBJM-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclopropyl-1,2-dihydropyrazine?
The IUPAC name of 2-bromo-3-cyclopropyl-1,2-dihydropyrazine (CID 151072811) is 2-bromo-3-cyclopropyl-1,2-dihydropyrazine.
What is the SMILES notation for 2-bromo-3-cyclopropyl-1,2-dihydropyrazine?
The canonical SMILES for 2-bromo-3-cyclopropyl-1,2-dihydropyrazine is BrC1NC=CN=C1C1CC1.
What is the InChIKey of 2-bromo-3-cyclopropyl-1,2-dihydropyrazine?
The InChIKey is MIMHUSCRKOZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-7-6(5-1-2-5)9-3-4-10-7/h3-5,7,10H,1-2H2.
What are the key properties of 2-bromo-3-cyclopropyl-1,2-dihydropyrazine?
2-bromo-3-cyclopropyl-1,2-dihydropyrazine has a molecular weight of 201.07 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclopropyl-1,2-dihydropyrazine is sourced from PubChem (CID 151072811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).