[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine

C13H15BrN4O — CID 105332597

IUPAC[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
SMILESCOc1nccnc1C(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H15BrN4O/c1-8-3-4-9(7-10(8)14)11(18-15)12-13(19-2)17-6-5-16-12/h3-7,11,18H,15H2,1-2H3
InChIKeyXKPBMGBEMKDURF-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.11
Rot. Bonds4

About [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine

[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine (PubChem CID 105332597) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
PubChem CID105332597
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
SMILESCOc1nccnc1C(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H15BrN4O/c1-8-3-4-9(7-10(8)14)11(18-15)12-13(19-2)17-6-5-16-12/h3-7,11,18H,15H2,1-2H3
InChIKeyXKPBMGBEMKDURF-UHFFFAOYSA-N
XLogP2.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.11
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

[(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105192205
[(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332579
[2,3-dihydro-1H-inden-5-yl-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332650
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
[(3-methoxypyrazin-2-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105332641
[[4-(difluoromethoxy)phenyl]-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332626
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308418
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
[(4-bromothiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105222534
N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine (CID 105332597) is [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine is COc1nccnc1C(NN)c1ccc(C)c(Br)c1.
What is the InChIKey of [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
The InChIKey is XKPBMGBEMKDURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8-3-4-9(7-10(8)14)11(18-15)12-13(19-2)17-6-5-16-12/h3-7,11,18H,15H2,1-2H3.
What are the key properties of [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine?
[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine is sourced from PubChem (CID 105332597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).