1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide

C10H17N5OS — CID 55213325

IUPAC1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSC2CCCC2)nn1
InChIInChI=1S/C10H17N5OS/c11-12-10(16)9-7-15(14-13-9)5-6-17-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,12,16)
InChIKeyZXKFXQFSJUUVOL-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.56
Rot. Bonds5

About 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide

1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide (PubChem CID 55213325) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide
PubChem CID55213325
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSC2CCCC2)nn1
InChIInChI=1S/C10H17N5OS/c11-12-10(16)9-7-15(14-13-9)5-6-17-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,12,16)
InChIKeyZXKFXQFSJUUVOL-UHFFFAOYSA-N
XLogP0.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyclopentylsulfanylethyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide (CID 55213325) is 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide is NNC(=O)c1cn(CCSC2CCCC2)nn1.
What is the InChIKey of 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide?
The InChIKey is ZXKFXQFSJUUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c11-12-10(16)9-7-15(14-13-9)5-6-17-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,12,16).
What are the key properties of 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide?
1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide has a molecular weight of 255.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylsulfanylethyl)triazole-4-carbohydrazide is sourced from PubChem (CID 55213325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).