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

C8H7N9S2 — CID 80930718

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

[4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80930718) has the molecular formula C8H7N9S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

• Compound Name: [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
• PubChem CID: 80930718
• Molecular Formula: C8H7N9S2
• Molecular Weight: 293.34 g/mol
• Exact Mass: 293.03
• IUPAC Name: [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
• SMILES: NNc1nc(Sc2nncs2)nc(-n2ccnc2)n1
• InChI: InChI=1S/C8H7N9S2/c9-15-5-12-6(17-2-1-10-3-17)14-7(13-5)19-8-16-11-4-18-8/h1-4H,9H2,(H,12,13,14,15)
• InChIKey: QPUWHSGITZZBKM-UHFFFAOYSA-N
• XLogP: 0.35
• TPSA: 120.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	293.34
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?

The IUPAC name of [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (CID 80930718) is [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

What is the SMILES notation for [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?

The canonical SMILES for [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Sc2nncs2)nc(-n2ccnc2)n1.

What is the InChIKey of [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?

The InChIKey is QPUWHSGITZZBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N9S2/c9-15-5-12-6(17-2-1-10-3-17)14-7(13-5)19-8-16-11-4-18-8/h1-4H,9H2,(H,12,13,14,15).

What are the key properties of [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?

[4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 293.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80930718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).