[4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

C7H9N7OS2 — CID 80930405

IUPAC[4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nncs2)n1
InChIInChI=1S/C7H9N7OS2/c1-2-15-5-10-4(13-8)11-6(12-5)17-7-14-9-3-16-7/h3H,2,8H2,1H3,(H,10,11,12,13)
InChIKeyNCNFEOGCLNJAEE-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.56
Rot. Bonds5

About [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

[4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80930405) has the molecular formula C7H9N7OS2 and a molecular weight of 271.33 g/mol. Its IUPAC name is [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80930405
Molecular FormulaC7H9N7OS2
Molecular Weight271.33 g/mol
Exact Mass271.03
IUPAC Name[4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Sc2nncs2)n1
InChIInChI=1S/C7H9N7OS2/c1-2-15-5-10-4(13-8)11-6(12-5)17-7-14-9-3-16-7/h3H,2,8H2,1H3,(H,10,11,12,13)
InChIKeyNCNFEOGCLNJAEE-UHFFFAOYSA-N
XLogP0.56
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (CID 80930405) is [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Sc2nncs2)n1.
What is the InChIKey of [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is NCNFEOGCLNJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7OS2/c1-2-15-5-10-4(13-8)11-6(12-5)17-7-14-9-3-16-7/h3H,2,8H2,1H3,(H,10,11,12,13).
What are the key properties of [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 271.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80930405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).