[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

C11H15N5S — CID 105337638

IUPAC[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCSc1ccc(C(NN)c2cnnn2C)cc1
InChIInChI=1S/C11H15N5S/c1-16-10(7-13-15-16)11(14-12)8-3-5-9(17-2)6-4-8/h3-7,11,14H,12H2,1-2H3
InChIKeyJMNBAGHTSYRPEM-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.09
Rot. Bonds4

About [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 105337638) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID105337638
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCSc1ccc(C(NN)c2cnnn2C)cc1
InChIInChI=1S/C11H15N5S/c1-16-10(7-13-15-16)11(14-12)8-3-5-9(17-2)6-4-8/h3-7,11,14H,12H2,1-2H3
InChIKeyJMNBAGHTSYRPEM-UHFFFAOYSA-N
XLogP1.09
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.09
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

[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[(3-chloro-4-iodophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 103217790
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337530
[(4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105284116
[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337692
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337538
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
[(2-ethylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337685
[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337546

Frequently Asked Questions

What is the IUPAC name of [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (CID 105337638) is [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is CSc1ccc(C(NN)c2cnnn2C)cc1.
What is the InChIKey of [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is JMNBAGHTSYRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-16-10(7-13-15-16)11(14-12)8-3-5-9(17-2)6-4-8/h3-7,11,14H,12H2,1-2H3.
What are the key properties of [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 249.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105337638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).