[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine

C12H17N5S — CID 105237364

IUPAC[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
SMILESCc1ccccc1SCC(NN)c1cnnn1C
InChIInChI=1S/C12H17N5S/c1-9-5-3-4-6-12(9)18-8-10(15-13)11-7-14-16-17(11)2/h3-7,10,15H,8,13H2,1-2H3
InChIKeyCQBGVIUMGZHOGV-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.42
Rot. Bonds5

About [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine

[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 105237364) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID105237364
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
SMILESCc1ccccc1SCC(NN)c1cnnn1C
InChIInChI=1S/C12H17N5S/c1-9-5-3-4-6-12(9)18-8-10(15-13)11-7-14-16-17(11)2/h3-7,10,15H,8,13H2,1-2H3
InChIKeyCQBGVIUMGZHOGV-UHFFFAOYSA-N
XLogP1.42
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylphenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105237318
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237349
[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105237633
[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
2-(2-bromophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114688242
[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105337598

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine (CID 105237364) is [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine is Cc1ccccc1SCC(NN)c1cnnn1C.
What is the InChIKey of [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is CQBGVIUMGZHOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-5-3-4-6-12(9)18-8-10(15-13)11-7-14-16-17(11)2/h3-7,10,15H,8,13H2,1-2H3.
What are the key properties of [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 263.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105237364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).