[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

C13H20BrN5S — CID 105317711

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCc1cc(C(Cc2ncnn2CC(C)C)NN)sc1Br
InChIInChI=1S/C13H20BrN5S/c1-8(2)6-19-12(16-7-17-19)5-10(18-15)11-4-9(3)13(14)20-11/h4,7-8,10,18H,5-6,15H2,1-3H3
InChIKeyLPVJGWNZTQTGSC-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.81
Rot. Bonds6

About [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (PubChem CID 105317711) has the molecular formula C13H20BrN5S and a molecular weight of 358.31 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
PubChem CID105317711
Molecular FormulaC13H20BrN5S
Molecular Weight358.31 g/mol
Exact Mass357.06
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCc1cc(C(Cc2ncnn2CC(C)C)NN)sc1Br
InChIInChI=1S/C13H20BrN5S/c1-8(2)6-19-12(16-7-17-19)5-10(18-15)11-4-9(3)13(14)20-11/h4,7-8,10,18H,5-6,15H2,1-3H3
InChIKeyLPVJGWNZTQTGSC-UHFFFAOYSA-N
XLogP2.81
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.81
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

[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107948328
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323417
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661
[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317685
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260503
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321073
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
CID 104999943
4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (CID 105317711) is [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is Cc1cc(C(Cc2ncnn2CC(C)C)NN)sc1Br.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The InChIKey is LPVJGWNZTQTGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5S/c1-8(2)6-19-12(16-7-17-19)5-10(18-15)11-4-9(3)13(14)20-11/h4,7-8,10,18H,5-6,15H2,1-3H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine has a molecular weight of 358.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is sourced from PubChem (CID 105317711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).