N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine

C11H12BrN5 — CID 80898750

IUPACN-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
SMILESCc1ccc(Br)cc1Nc1cncc(NN)n1
InChIInChI=1S/C11H12BrN5/c1-7-2-3-8(12)4-9(7)15-10-5-14-6-11(16-10)17-13/h2-6H,13H2,1H3,(H2,15,16,17)
InChIKeyXWFPUUIBWPWZMR-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.58
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine

N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine (PubChem CID 80898750) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
PubChem CID80898750
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC NameN-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
SMILESCc1ccc(Br)cc1Nc1cncc(NN)n1
InChIInChI=1S/C11H12BrN5/c1-7-2-3-8(12)4-9(7)15-10-5-14-6-11(16-10)17-13/h2-6H,13H2,1H3,(H2,15,16,17)
InChIKeyXWFPUUIBWPWZMR-UHFFFAOYSA-N
XLogP2.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine (CID 80898750) is N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine is Cc1ccc(Br)cc1Nc1cncc(NN)n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
The InChIKey is XWFPUUIBWPWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-7-2-3-8(12)4-9(7)15-10-5-14-6-11(16-10)17-13/h2-6H,13H2,1H3,(H2,15,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine?
N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine has a molecular weight of 294.16 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine is sourced from PubChem (CID 80898750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).