[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine

C10H21N5S — CID 105225793

IUPAC[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1ncnn1CC)NN
InChIInChI=1S/C10H21N5S/c1-3-5-16-7-9(14-11)6-10-12-8-13-15(10)4-2/h8-9,14H,3-7,11H2,1-2H3
InChIKeyHPTAHRRAKWTYJH-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.82
Rot. Bonds8

About [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine

[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225793) has the molecular formula C10H21N5S and a molecular weight of 243.38 g/mol. Its IUPAC name is [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
PubChem CID105225793
Molecular FormulaC10H21N5S
Molecular Weight243.38 g/mol
Exact Mass243.15
IUPAC Name[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1ncnn1CC)NN
InChIInChI=1S/C10H21N5S/c1-3-5-16-7-9(14-11)6-10-12-8-13-15(10)4-2/h8-9,14H,3-7,11H2,1-2H3
InChIKeyHPTAHRRAKWTYJH-UHFFFAOYSA-N
XLogP0.82
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
CID 105269736
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105318623
[1-(2-ethyl-1,2,4-triazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225076
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105318513
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225595
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
CID 116660609

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine (CID 105225793) is [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine is CCCSCC(Cc1ncnn1CC)NN.
What is the InChIKey of [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine?
The InChIKey is HPTAHRRAKWTYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5S/c1-3-5-16-7-9(14-11)6-10-12-8-13-15(10)4-2/h8-9,14H,3-7,11H2,1-2H3.
What are the key properties of [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine?
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine has a molecular weight of 243.38 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).