1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide

C9H11N5OS2 — CID 63581173

IUPAC1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSc2cccs2)nn1
InChIInChI=1S/C9H11N5OS2/c10-11-9(15)7-6-14(13-12-7)3-5-17-8-2-1-4-16-8/h1-2,4,6H,3,5,10H2,(H,11,15)
InChIKeySUGFRDNYXDTUGQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.74
Rot. Bonds5

About 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide

1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide (PubChem CID 63581173) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide
PubChem CID63581173
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC Name1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSc2cccs2)nn1
InChIInChI=1S/C9H11N5OS2/c10-11-9(15)7-6-14(13-12-7)3-5-17-8-2-1-4-16-8/h1-2,4,6H,3,5,10H2,(H,11,15)
InChIKeySUGFRDNYXDTUGQ-UHFFFAOYSA-N
XLogP0.74
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide (CID 63581173) is 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide is NNC(=O)c1cn(CCSc2cccs2)nn1.
What is the InChIKey of 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide?
The InChIKey is SUGFRDNYXDTUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c10-11-9(15)7-6-14(13-12-7)3-5-17-8-2-1-4-16-8/h1-2,4,6H,3,5,10H2,(H,11,15).
What are the key properties of 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide?
1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide has a molecular weight of 269.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide is sourced from PubChem (CID 63581173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).