[(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine

C13H11BrN4S — CID 107357928

IUPAC[(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine
SMILESNNC(c1cnc2ccccc2n1)c1sccc1Br
InChIInChI=1S/C13H11BrN4S/c14-8-5-6-19-13(8)12(18-15)11-7-16-9-3-1-2-4-10(9)17-11/h1-7,12,18H,15H2
InChIKeyXHHRLKAKHRVUMD-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.01
Rot. Bonds3

About [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine

[(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine (PubChem CID 107357928) has the molecular formula C13H11BrN4S and a molecular weight of 335.23 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine
PubChem CID107357928
Molecular FormulaC13H11BrN4S
Molecular Weight335.23 g/mol
Exact Mass333.99
IUPAC Name[(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine
SMILESNNC(c1cnc2ccccc2n1)c1sccc1Br
InChIInChI=1S/C13H11BrN4S/c14-8-5-6-19-13(8)12(18-15)11-7-16-9-3-1-2-4-10(9)17-11/h1-7,12,18H,15H2
InChIKeyXHHRLKAKHRVUMD-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.01
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

[(5-bromo-2-pyridinyl)-(3-bromothiophen-2-yl)methyl]hydrazine
CID 105267899
[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105327833
[(3-bromothiophen-2-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196295
[(3-bromothiophen-2-yl)-(furan-2-yl)methyl]hydrazine
CID 105213683
[(2-bromo-6-fluorophenyl)-(3-bromothiophen-2-yl)methyl]hydrazine
CID 105280536
[(3,4-difluorophenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357865
[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]hydrazine
CID 103129863
[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216
(2,2-dimethyl-1-quinoxalin-2-ylpropyl)hydrazine
CID 107357866
[(3-bromothiophen-2-yl)-(4-bromothiophen-2-yl)methyl]hydrazine
CID 105222634
[(3-bromothiophen-2-yl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261993
[(2,4-dimethylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357864

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine (CID 107357928) is [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine is NNC(c1cnc2ccccc2n1)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine?
The InChIKey is XHHRLKAKHRVUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4S/c14-8-5-6-19-13(8)12(18-15)11-7-16-9-3-1-2-4-10(9)17-11/h1-7,12,18H,15H2.
What are the key properties of [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine?
[(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine has a molecular weight of 335.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-quinoxalin-2-ylmethyl]hydrazine is sourced from PubChem (CID 107357928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).