1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide

C8H15N5O2S — CID 63580485

IUPAC1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
SMILESCOCCSCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C8H15N5O2S/c1-15-3-5-16-4-2-13-6-7(11-12-13)8(14)10-9/h6H,2-5,9H2,1H3,(H,10,14)
InChIKeyFVCMGGKYRMICJJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.74
Rot. Bonds7

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

1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide (PubChem CID 63580485) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
PubChem CID63580485
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
SMILESCOCCSCCn1cc(C(=O)NN)nn1
InChIInChI=1S/C8H15N5O2S/c1-15-3-5-16-4-2-13-6-7(11-12-13)8(14)10-9/h6H,2-5,9H2,1H3,(H,10,14)
InChIKeyFVCMGGKYRMICJJ-UHFFFAOYSA-N
XLogP-0.74
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.74
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-(2-methoxyethylsulfanyl)ethyl]triazole-4-carboxylic acid
CID 43445808
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(3-aminobutylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 66234837
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]triazole-4-carbohydrazide
CID 66224490
1-[2-(3-hydroxybutan-2-ylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 107772080
1-[2-(1-methylimidazol-2-yl)sulfanylethyl]triazole-4-carbohydrazide
CID 63581139
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63581379
1-(2-prop-2-enoxyethyl)triazole-4-carbohydrazide
CID 63575951
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
1-[2-(4-nitrophenyl)sulfanylethyl]triazole-4-carbohydrazide
CID 63581959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide (CID 63580485) is 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide is COCCSCCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide?
The InChIKey is FVCMGGKYRMICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-15-3-5-16-4-2-13-6-7(11-12-13)8(14)10-9/h6H,2-5,9H2,1H3,(H,10,14).
What are the key properties of 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide?
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide has a molecular weight of 245.31 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63580485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).