[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine

C12H20BrN3S — CID 105226767

IUPAC[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(Cc1ccc(Br)cn1)NN
InChIInChI=1S/C12H20BrN3S/c1-9(2)7-17-8-12(16-14)5-11-4-3-10(13)6-15-11/h3-4,6,9,12,16H,5,7-8,14H2,1-2H3
InChIKeyLWLAYAXBOFLSKW-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.61
Rot. Bonds7

About [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine

[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine (PubChem CID 105226767) has the molecular formula C12H20BrN3S and a molecular weight of 318.28 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
PubChem CID105226767
Molecular FormulaC12H20BrN3S
Molecular Weight318.28 g/mol
Exact Mass317.06
IUPAC Name[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(Cc1ccc(Br)cn1)NN
InChIInChI=1S/C12H20BrN3S/c1-9(2)7-17-8-12(16-14)5-11-4-3-10(13)6-15-11/h3-4,6,9,12,16H,5,7-8,14H2,1-2H3
InChIKeyLWLAYAXBOFLSKW-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.61
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

[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226918
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480
[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105226952
[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105334652
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105334479
[2-(5-bromo-2-pyridinyl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105334600
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
CID 104803172
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
[1-(3-bromophenyl)sulfanyl-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105238322

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine (CID 105226767) is [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine is CC(C)CSCC(Cc1ccc(Br)cn1)NN.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The InChIKey is LWLAYAXBOFLSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3S/c1-9(2)7-17-8-12(16-14)5-11-4-3-10(13)6-15-11/h3-4,6,9,12,16H,5,7-8,14H2,1-2H3.
What are the key properties of [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine has a molecular weight of 318.28 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).