[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

C13H19N5S — CID 114213638

IUPAC[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCCn1nncc1C(CSc1cccc(C)c1)NN
InChIInChI=1S/C13H19N5S/c1-3-18-13(8-15-17-18)12(16-14)9-19-11-6-4-5-10(2)7-11/h4-8,12,16H,3,9,14H2,1-2H3
InChIKeyYIZUEMJHAXVKCI-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.90
Rot. Bonds6

About [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 114213638) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
PubChem CID114213638
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCCn1nncc1C(CSc1cccc(C)c1)NN
InChIInChI=1S/C13H19N5S/c1-3-18-13(8-15-17-18)12(16-14)9-19-11-6-4-5-10(2)7-11/h4-8,12,16H,3,9,14H2,1-2H3
InChIKeyYIZUEMJHAXVKCI-UHFFFAOYSA-N
XLogP1.90
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.90
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-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105238409
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105237633
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105237364

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (CID 114213638) is [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is CCn1nncc1C(CSc1cccc(C)c1)NN.
What is the InChIKey of [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is YIZUEMJHAXVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-3-18-13(8-15-17-18)12(16-14)9-19-11-6-4-5-10(2)7-11/h4-8,12,16H,3,9,14H2,1-2H3.
What are the key properties of [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine has a molecular weight of 277.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 114213638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).