[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine

C10H19N5S2 — CID 105249262

IUPAC[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)C1CSCCS1
InChIInChI=1S/C10H19N5S2/c1-2-3-15-8(6-12-14-15)10(13-11)9-7-16-4-5-17-9/h6,9-10,13H,2-5,7,11H2,1H3
InChIKeyMPQZEEAFZWRYCZ-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.04
Rot. Bonds5

About [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine

[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine (PubChem CID 105249262) has the molecular formula C10H19N5S2 and a molecular weight of 273.43 g/mol. Its IUPAC name is [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
PubChem CID105249262
Molecular FormulaC10H19N5S2
Molecular Weight273.43 g/mol
Exact Mass273.11
IUPAC Name[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)C1CSCCS1
InChIInChI=1S/C10H19N5S2/c1-2-3-15-8(6-12-14-15)10(13-11)9-7-16-4-5-17-9/h6,9-10,13H,2-5,7,11H2,1H3
InChIKeyMPQZEEAFZWRYCZ-UHFFFAOYSA-N
XLogP1.04
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-[(3-propyltriazol-4-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114688770
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 106445341
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105224717
[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105221602
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
[(2-propylpyrazol-3-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255341
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
[(4-propylthiadiazol-5-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335545

Frequently Asked Questions

What is the IUPAC name of [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine (CID 105249262) is [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine is CCCn1nncc1C(NN)C1CSCCS1.
What is the InChIKey of [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
The InChIKey is MPQZEEAFZWRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S2/c1-2-3-15-8(6-12-14-15)10(13-11)9-7-16-4-5-17-9/h6,9-10,13H,2-5,7,11H2,1H3.
What are the key properties of [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine has a molecular weight of 273.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105249262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).