2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one

C8H9N5O2S — CID 105062086

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(Cc2nnsc2N)n1
InChIInChI=1S/C8H9N5O2S/c1-15-6-2-3-7(14)13(11-6)4-5-8(9)16-12-10-5/h2-3H,4,9H2,1H3
InChIKeyHOXBWZUBERXQLK-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.27
Rot. Bonds3

About 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one

2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one (PubChem CID 105062086) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one
PubChem CID105062086
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(Cc2nnsc2N)n1
InChIInChI=1S/C8H9N5O2S/c1-15-6-2-3-7(14)13(11-6)4-5-8(9)16-12-10-5/h2-3H,4,9H2,1H3
InChIKeyHOXBWZUBERXQLK-UHFFFAOYSA-N
XLogP-0.27
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one (CID 105062086) is 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(Cc2nnsc2N)n1.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one?
The InChIKey is HOXBWZUBERXQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-15-6-2-3-7(14)13(11-6)4-5-8(9)16-12-10-5/h2-3H,4,9H2,1H3.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one?
2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one has a molecular weight of 239.26 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).