1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one

C9H11N5OS — CID 62244467

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nnsc1NN
InChIInChI=1S/C9H11N5OS/c1-6-3-2-4-8(15)14(6)5-7-9(11-10)16-13-12-7/h2-4,11H,5,10H2,1H3
InChIKeyZQRZHFYWXDQTQE-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.34
Rot. Bonds3

About 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one

1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one (PubChem CID 62244467) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one
PubChem CID62244467
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nnsc1NN
InChIInChI=1S/C9H11N5OS/c1-6-3-2-4-8(15)14(6)5-7-9(11-10)16-13-12-7/h2-4,11H,5,10H2,1H3
InChIKeyZQRZHFYWXDQTQE-UHFFFAOYSA-N
XLogP0.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.34
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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Related Compounds

1-[(5-Hydrazinylthiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280430
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310736
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318690
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318910
1-[(5-Aminothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319538
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319668
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
CID 55046242
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
CID 55159380
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyridin-2-one
CID 62193450
6-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193451
1-[(5-Aminothiadiazol-4-yl)methyl]-5-bromopyridin-2-one
CID 62207133

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one (CID 62244467) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1Cc1nnsc1NN.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The InChIKey is ZQRZHFYWXDQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6-3-2-4-8(15)14(6)5-7-9(11-10)16-13-12-7/h2-4,11H,5,10H2,1H3.
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one has a molecular weight of 237.29 g/mol, XLogP of 0.34, 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]-6-methylpyridin-2-one is sourced from PubChem (CID 62244467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).