1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine

C9H11BrN2S — CID 105307933

IUPAC1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1sccc1Br
InChIInChI=1S/C9H11BrN2S/c1-2-3-4-8(12-11)9-7(10)5-6-13-9/h1,5-6,8,12H,3-4,11H2
InChIKeyHRLZWUIVHMJOMI-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine

1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine (PubChem CID 105307933) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
PubChem CID105307933
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1sccc1Br
InChIInChI=1S/C9H11BrN2S/c1-2-3-4-8(12-11)9-7(10)5-6-13-9/h1,5-6,8,12H,3-4,11H2
InChIKeyHRLZWUIVHMJOMI-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(3-bromothiophen-2-yl)pent-4-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

1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105327947
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
1-(2,4-dibromophenyl)pent-4-ynylhydrazine
CID 107948243
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine (CID 105307933) is 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine?
The InChIKey is HRLZWUIVHMJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c1-2-3-4-8(12-11)9-7(10)5-6-13-9/h1,5-6,8,12H,3-4,11H2.
What are the key properties of 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine?
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine has a molecular weight of 259.17 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105307933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).