2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one

C4H4N4O3S — CID 136502475

IUPAC2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one
SMILESO=C1NS(=O)(=O)Nc2[nH]ncc21
InChIInChI=1S/C4H4N4O3S/c9-4-2-1-5-6-3(2)7-12(10,11)8-4/h1H,(H,8,9)(H2,5,6,7)
InChIKeyIFGNOEATALTGPF-UHFFFAOYSA-N
MW188.17 g/mol
LogP-1.19
Rot. Bonds

About 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one

2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one (PubChem CID 136502475) has the molecular formula C4H4N4O3S and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one.

Molecular Properties

Compound Name2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one
PubChem CID136502475
Molecular FormulaC4H4N4O3S
Molecular Weight188.17 g/mol
Exact Mass188.00
IUPAC Name2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one
SMILESO=C1NS(=O)(=O)Nc2[nH]ncc21
InChIInChI=1S/C4H4N4O3S/c9-4-2-1-5-6-3(2)7-12(10,11)8-4/h1H,(H,8,9)(H2,5,6,7)
InChIKeyIFGNOEATALTGPF-UHFFFAOYSA-N
XLogP-1.19
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one?
The IUPAC name of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one (CID 136502475) is 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one.
What is the SMILES notation for 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one?
The canonical SMILES for 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one is O=C1NS(=O)(=O)Nc2[nH]ncc21.
What is the InChIKey of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one?
The InChIKey is IFGNOEATALTGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3S/c9-4-2-1-5-6-3(2)7-12(10,11)8-4/h1H,(H,8,9)(H2,5,6,7).
What are the key properties of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one?
2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one has a molecular weight of 188.17 g/mol, XLogP of -1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-one is sourced from PubChem (CID 136502475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).