1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine

C9H11BrN2S — CID 105290740

IUPAC1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1csc(Br)c1
InChIInChI=1S/C9H11BrN2S/c1-2-3-4-8(12-11)7-5-9(10)13-6-7/h5-6,8,12H,4,11H2,1H3
InChIKeyDKZXRYNIGALKER-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.43
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine

1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine (PubChem CID 105290740) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
PubChem CID105290740
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1csc(Br)c1
InChIInChI=1S/C9H11BrN2S/c1-2-3-4-8(12-11)7-5-9(10)13-6-7/h5-6,8,12H,4,11H2,1H3
InChIKeyDKZXRYNIGALKER-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
1-(4-bromophenyl)pent-3-ynylhydrazine
CID 105192351
[1-(5-bromothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298248
1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
CID 105126513
[1-(5-bromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 105342588
1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
CID 105257080
1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
CID 105290579
[1-(5-bromothiophen-3-yl)-3-ethylheptyl]hydrazine
CID 105288393
[1-(5-bromothiophen-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105377982
[1-(5-bromothiophen-3-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306858

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine?
The IUPAC name of 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine (CID 105290740) is 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine is CC#CCC(NN)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine?
The InChIKey is DKZXRYNIGALKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c1-2-3-4-8(12-11)7-5-9(10)13-6-7/h5-6,8,12H,4,11H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine?
1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine has a molecular weight of 259.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine is sourced from PubChem (CID 105290740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).