[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

C9H10N10S2 — CID 80929997

About [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80929997) has the molecular formula C9H10N10S2 and a molecular weight of 322.38 g/mol. Its IUPAC name is [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

• Compound Name: [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
• PubChem CID: 80929997
• Molecular Formula: C9H10N10S2
• Molecular Weight: 322.38 g/mol
• Exact Mass: 322.05
• IUPAC Name: [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
• SMILES: CCc1nsc(Sc2nc(NN)nc(-n3cncn3)n2)n1
• InChI: InChI=1S/C9H10N10S2/c1-2-5-13-9(21-18-5)20-8-15-6(17-10)14-7(16-8)19-4-11-3-12-19/h3-4H,2,10H2,1H3,(H,14,15,16,17)
• InChIKey: MMMXJYMNZDEPGS-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 133.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.38
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?

The IUPAC name of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80929997) is [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

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

The canonical SMILES for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is CCc1nsc(Sc2nc(NN)nc(-n3cncn3)n2)n1.

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

The InChIKey is MMMXJYMNZDEPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N10S2/c1-2-5-13-9(21-18-5)20-8-15-6(17-10)14-7(16-8)19-4-11-3-12-19/h3-4H,2,10H2,1H3,(H,14,15,16,17).

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

[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 322.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80929997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).