1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one

C8H9N5OS — CID 62245962

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one
SMILESNNc1snnc1Cn1ccccc1=O
InChIInChI=1S/C8H9N5OS/c9-10-8-6(11-12-15-8)5-13-4-2-1-3-7(13)14/h1-4,10H,5,9H2
InChIKeyOKCFUFXGKJXZGC-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.03
Rot. Bonds3

About 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one

1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one (PubChem CID 62245962) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one
PubChem CID62245962
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one
SMILESNNc1snnc1Cn1ccccc1=O
InChIInChI=1S/C8H9N5OS/c9-10-8-6(11-12-15-8)5-13-4-2-1-3-7(13)14/h1-4,10H,5,9H2
InChIKeyOKCFUFXGKJXZGC-UHFFFAOYSA-N
XLogP0.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one (CID 62245962) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one is NNc1snnc1Cn1ccccc1=O.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one?
The InChIKey is OKCFUFXGKJXZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-10-8-6(11-12-15-8)5-13-4-2-1-3-7(13)14/h1-4,10H,5,9H2.
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one has a molecular weight of 223.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 62245962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).