1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide

C10H13N5O2S — CID 63581379

IUPAC1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSCc2ccco2)nn1
InChIInChI=1S/C10H13N5O2S/c11-12-10(16)9-6-15(14-13-9)3-5-18-7-8-2-1-4-17-8/h1-2,4,6H,3,5,7,11H2,(H,12,16)
InChIKeyWRKIEFVXMJIPLD-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.41
Rot. Bonds6

About 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide

1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide (PubChem CID 63581379) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide
PubChem CID63581379
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCSCc2ccco2)nn1
InChIInChI=1S/C10H13N5O2S/c11-12-10(16)9-6-15(14-13-9)3-5-18-7-8-2-1-4-17-8/h1-2,4,6H,3,5,7,11H2,(H,12,16)
InChIKeyWRKIEFVXMJIPLD-UHFFFAOYSA-N
XLogP0.41
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide
CID 55214989
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]triazole-4-carbohydrazide
CID 66224490
1-[2-(3-aminobutylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 66234837
1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide
CID 63581173
1-[2-(furan-2-ylmethylamino)ethyl]-N-phenyltriazole-4-carboxamide
CID 118758703
1-[2-(3-hydroxybutan-2-ylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 107772080
1-[2-[2-(furan-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103242144
1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]triazole-4-carbohydrazide
CID 79528117
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-(1-methylimidazol-2-yl)sulfanylethyl]triazole-4-carbohydrazide
CID 63581139
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide (CID 63581379) is 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCSCc2ccco2)nn1.
What is the InChIKey of 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide?
The InChIKey is WRKIEFVXMJIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-12-10(16)9-6-15(14-13-9)3-5-18-7-8-2-1-4-17-8/h1-2,4,6H,3,5,7,11H2,(H,12,16).
What are the key properties of 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide?
1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide has a molecular weight of 267.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63581379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).