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

C8H10N6OS — CID 106549060

IUPAC2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2nnsc2NN)c(=O)c1
InChIInChI=1S/C8H10N6OS/c1-5-2-7(15)14(10-3-5)4-6-8(11-9)16-13-12-6/h2-3,11H,4,9H2,1H3
InChIKeyHWYBXKBDUASKSL-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.26
Rot. Bonds3

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

2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one (PubChem CID 106549060) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
PubChem CID106549060
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2nnsc2NN)c(=O)c1
InChIInChI=1S/C8H10N6OS/c1-5-2-7(15)14(10-3-5)4-6-8(11-9)16-13-12-6/h2-3,11H,4,9H2,1H3
InChIKeyHWYBXKBDUASKSL-UHFFFAOYSA-N
XLogP-0.26
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.26
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]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one (CID 106549060) is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one is Cc1cnn(Cc2nnsc2NN)c(=O)c1.
What is the InChIKey of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
The InChIKey is HWYBXKBDUASKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-5-2-7(15)14(10-3-5)4-6-8(11-9)16-13-12-6/h2-3,11H,4,9H2,1H3.
What are the key properties of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one?
2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-methylpyridazin-3-one has a molecular weight of 238.28 g/mol, XLogP of -0.26, 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]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).