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

C11H19N5OS — CID 63580319

IUPAC1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSC2CCCCC2)nn1
InChIInChI=1S/C11H19N5OS/c12-13-11(17)10-8-16(15-14-10)6-7-18-9-4-2-1-3-5-9/h8-9H,1-7,12H2,(H,13,17)
InChIKeyQHXHSONHVWUWTR-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.95
Rot. Bonds5

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

1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide (PubChem CID 63580319) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
PubChem CID63580319
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSC2CCCCC2)nn1
InChIInChI=1S/C11H19N5OS/c12-13-11(17)10-8-16(15-14-10)6-7-18-9-4-2-1-3-5-9/h8-9H,1-7,12H2,(H,13,17)
InChIKeyQHXHSONHVWUWTR-UHFFFAOYSA-N
XLogP0.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.95
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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Related Compounds

1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(3-hydroxybutan-2-ylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 107772080
1-[2-(3-aminobutylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 66234837
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377
1-[2-(1-methylimidazol-2-yl)sulfanylethyl]triazole-4-carbohydrazide
CID 63581139
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]triazole-4-carbohydrazide
CID 66224490

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide (CID 63580319) is 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide is NNC(=O)c1cn(CCSC2CCCCC2)nn1.
What is the InChIKey of 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide?
The InChIKey is QHXHSONHVWUWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c12-13-11(17)10-8-16(15-14-10)6-7-18-9-4-2-1-3-5-9/h8-9H,1-7,12H2,(H,13,17).
What are the key properties of 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide?
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide has a molecular weight of 269.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide is sourced from PubChem (CID 63580319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).