[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine

C12H13BrN4 — CID 105308636

IUPAC[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESCc1ccc(C(NN)c2cnccn2)cc1Br
InChIInChI=1S/C12H13BrN4/c1-8-2-3-9(6-10(8)13)12(17-14)11-7-15-4-5-16-11/h2-7,12,17H,14H2,1H3
InChIKeyJQHULFZMFUQXRQ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.10
Rot. Bonds3

About [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine

[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine (PubChem CID 105308636) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
PubChem CID105308636
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESCc1ccc(C(NN)c2cnccn2)cc1Br
InChIInChI=1S/C12H13BrN4/c1-8-2-3-9(6-10(8)13)12(17-14)11-7-15-4-5-16-11/h2-7,12,17H,14H2,1H3
InChIKeyJQHULFZMFUQXRQ-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332597
[(4-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308758
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
[(3-bromo-4-methylphenyl)-quinolin-7-ylmethyl]hydrazine
CID 105327512
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308418
[(3-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308608
[1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methyl]hydrazine
CID 105308643
[(3-bromo-4-methylphenyl)-(2-methylphenyl)methyl]hydrazine
CID 105286011
[(3-bromo-5-fluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105238763

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
The IUPAC name of [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine (CID 105308636) is [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine is Cc1ccc(C(NN)c2cnccn2)cc1Br.
What is the InChIKey of [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
The InChIKey is JQHULFZMFUQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8-2-3-9(6-10(8)13)12(17-14)11-7-15-4-5-16-11/h2-7,12,17H,14H2,1H3.
What are the key properties of [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine has a molecular weight of 293.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105308636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).