2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one

C7H8N6OS — CID 62850513

IUPAC2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one
SMILESNNc1snnc1Cn1ncccc1=O
InChIInChI=1S/C7H8N6OS/c8-10-7-5(11-12-15-7)4-13-6(14)2-1-3-9-13/h1-3,10H,4,8H2
InChIKeyURCAXUPUUBYSFK-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.57
Rot. Bonds3

About 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one

2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one (PubChem CID 62850513) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one
PubChem CID62850513
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one
SMILESNNc1snnc1Cn1ncccc1=O
InChIInChI=1S/C7H8N6OS/c8-10-7-5(11-12-15-7)4-13-6(14)2-1-3-9-13/h1-3,10H,4,8H2
InChIKeyURCAXUPUUBYSFK-UHFFFAOYSA-N
XLogP-0.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one (CID 62850513) is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one is NNc1snnc1Cn1ncccc1=O.
What is the InChIKey of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is URCAXUPUUBYSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c8-10-7-5(11-12-15-7)4-13-6(14)2-1-3-9-13/h1-3,10H,4,8H2.
What are the key properties of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one?
2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 224.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 62850513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).