7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine

C5H7N5O2S — CID 135903208

IUPAC7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine
SMILESCn1ncc2c1NS(=O)(=O)N=C2N
InChIInChI=1S/C5H7N5O2S/c1-10-5-3(2-7-10)4(6)8-13(11,12)9-5/h2,9H,1H3,(H2,6,8)
InChIKeyPXRGKMFOTIFSBJ-UHFFFAOYSA-N
MW201.21 g/mol
LogP-1.20
Rot. Bonds

About 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine

7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine (PubChem CID 135903208) has the molecular formula C5H7N5O2S and a molecular weight of 201.21 g/mol. Its IUPAC name is 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine
PubChem CID135903208
Molecular FormulaC5H7N5O2S
Molecular Weight201.21 g/mol
Exact Mass201.03
IUPAC Name7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine
SMILESCn1ncc2c1NS(=O)(=O)N=C2N
InChIInChI=1S/C5H7N5O2S/c1-10-5-3(2-7-10)4(6)8-13(11,12)9-5/h2,9H,1H3,(H2,6,8)
InChIKeyPXRGKMFOTIFSBJ-UHFFFAOYSA-N
XLogP-1.20
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine (CID 135903208) is 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine is Cn1ncc2c1NS(=O)(=O)N=C2N.
What is the InChIKey of 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
The InChIKey is PXRGKMFOTIFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2S/c1-10-5-3(2-7-10)4(6)8-13(11,12)9-5/h2,9H,1H3,(H2,6,8).
What are the key properties of 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine has a molecular weight of 201.21 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,2-dioxo-1H-pyrazolo[5,4-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 135903208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).