[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine

C12H13BrN4O2 — CID 103061987

IUPAC[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCOc1ccc(OCc2cnc(NN)cn2)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-18-9-2-3-11(10(13)4-9)19-7-8-5-16-12(17-14)6-15-8/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyWYAZJFUQUASRHK-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.11
Rot. Bonds5

About [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 103061987) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID103061987
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCOc1ccc(OCc2cnc(NN)cn2)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-18-9-2-3-11(10(13)4-9)19-7-8-5-16-12(17-14)6-15-8/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyWYAZJFUQUASRHK-UHFFFAOYSA-N
XLogP2.11
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061966
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
[5-[(3-methoxyphenyl)sulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062018
[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061930
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 104708258
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 107660720
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine (CID 103061987) is [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine is COc1ccc(OCc2cnc(NN)cn2)c(Br)c1.
What is the InChIKey of [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is WYAZJFUQUASRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-18-9-2-3-11(10(13)4-9)19-7-8-5-16-12(17-14)6-15-8/h2-6H,7,14H2,1H3,(H,16,17).
What are the key properties of [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 325.17 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103061987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).