[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C14H19N5S — CID 105318516

IUPAC[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)C1CSc2ccccc21
InChIInChI=1S/C14H19N5S/c1-2-19-14(16-9-17-19)7-12(18-15)11-8-20-13-6-4-3-5-10(11)13/h3-6,9,11-12,18H,2,7-8,15H2,1H3
InChIKeyYNWZVVFDAUVFOD-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.56
Rot. Bonds5

About [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105318516) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105318516
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)C1CSc2ccccc21
InChIInChI=1S/C14H19N5S/c1-2-19-14(16-9-17-19)7-12(18-15)11-8-20-13-6-4-3-5-10(11)13/h3-6,9,11-12,18H,2,7-8,15H2,1H3
InChIKeyYNWZVVFDAUVFOD-UHFFFAOYSA-N
XLogP1.56
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.56
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105224789
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218898
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109800
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 105108225
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340338
[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213664
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106602195
[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
CID 105300003
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319554
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 102868730
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286394

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105318516) is [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCn1ncnc1CC(NN)C1CSc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is YNWZVVFDAUVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-2-19-14(16-9-17-19)7-12(18-15)11-8-20-13-6-4-3-5-10(11)13/h3-6,9,11-12,18H,2,7-8,15H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 289.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105318516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).