[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine

C12H12BrClN4O — CID 105332681

IUPAC[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
SMILESCOc1nccnc1C(NN)c1cccc(Br)c1Cl
InChIInChI=1S/C12H12BrClN4O/c1-19-12-11(16-5-6-17-12)10(18-15)7-3-2-4-8(13)9(7)14/h2-6,10,18H,15H2,1H3
InChIKeyKPGAFLRXSWZFMO-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.45
Rot. Bonds4

About [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine

[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine (PubChem CID 105332681) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
PubChem CID105332681
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
SMILESCOc1nccnc1C(NN)c1cccc(Br)c1Cl
InChIInChI=1S/C12H12BrClN4O/c1-19-12-11(16-5-6-17-12)10(18-15)7-3-2-4-8(13)9(7)14/h2-6,10,18H,15H2,1H3
InChIKeyKPGAFLRXSWZFMO-UHFFFAOYSA-N
XLogP2.45
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 52.45
H-Bond Donors ≤ 52
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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Related Compounds

[(3-bromo-2-chlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285757
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660
[(3-methoxypyrazin-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105332542
[(3-methoxypyrazin-2-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105332642
[(2-chloro-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 106860179
[(3-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308722
[(3-methoxypyrazin-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203713
[(3-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436318
[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332597
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339123
1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516094
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine (CID 105332681) is [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine is COc1nccnc1C(NN)c1cccc(Br)c1Cl.
What is the InChIKey of [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
The InChIKey is KPGAFLRXSWZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-19-12-11(16-5-6-17-12)10(18-15)7-3-2-4-8(13)9(7)14/h2-6,10,18H,15H2,1H3.
What are the key properties of [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine has a molecular weight of 343.61 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine is sourced from PubChem (CID 105332681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).