[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine

C11H16BrN5S — CID 106466584

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
SMILESCn1nnc(Br)c1C(CCCc1cccs1)NN
InChIInChI=1S/C11H16BrN5S/c1-17-10(11(12)15-16-17)9(14-13)6-2-4-8-5-3-7-18-8/h3,5,7,9,14H,2,4,6,13H2,1H3
InChIKeyYRNZYERNXLBPQG-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.17
Rot. Bonds6

About [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine (PubChem CID 106466584) has the molecular formula C11H16BrN5S and a molecular weight of 330.26 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
PubChem CID106466584
Molecular FormulaC11H16BrN5S
Molecular Weight330.26 g/mol
Exact Mass329.03
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
SMILESCn1nnc(Br)c1C(CCCc1cccs1)NN
InChIInChI=1S/C11H16BrN5S/c1-17-10(11(12)15-16-17)9(14-13)6-2-4-8-5-3-7-18-8/h3,5,7,9,14H,2,4,6,13H2,1H3
InChIKeyYRNZYERNXLBPQG-UHFFFAOYSA-N
XLogP2.17
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.17
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-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105337635
[1-(1-methylpyrazol-3-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 103141110
[1-(furan-3-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105305888
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-one
CID 106464403
3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 106466087
(1-pyrazin-2-yl-4-thiophen-2-ylbutyl)hydrazine
CID 105308717
[1-(1-methylindazol-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103129680
(2-methyl-6-thiophen-2-ylhexan-3-yl)hydrazine
CID 105281740
[1-(2,5-dimethylpyrazol-3-yl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105315827
[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106466287
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine (CID 106466584) is [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine is Cn1nnc(Br)c1C(CCCc1cccs1)NN.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine?
The InChIKey is YRNZYERNXLBPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5S/c1-17-10(11(12)15-16-17)9(14-13)6-2-4-8-5-3-7-18-8/h3,5,7,9,14H,2,4,6,13H2,1H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine has a molecular weight of 330.26 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine is sourced from PubChem (CID 106466584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).