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

C4H5N5O2S — CID 135903215

IUPAC2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2[nH]ncc21
InChIInChI=1S/C4H5N5O2S/c5-3-2-1-6-7-4(2)9-12(10,11)8-3/h1H,(H2,5,8)(H2,6,7,9)
InChIKeyYQWJWRZPYNRQEQ-UHFFFAOYSA-N
MW187.18 g/mol
LogP-1.21
Rot. Bonds

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

2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine (PubChem CID 135903215) has the molecular formula C4H5N5O2S and a molecular weight of 187.18 g/mol. Its IUPAC name is 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine
PubChem CID135903215
Molecular FormulaC4H5N5O2S
Molecular Weight187.18 g/mol
Exact Mass187.02
IUPAC Name2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2[nH]ncc21
InChIInChI=1S/C4H5N5O2S/c5-3-2-1-6-7-4(2)9-12(10,11)8-3/h1H,(H2,5,8)(H2,6,7,9)
InChIKeyYQWJWRZPYNRQEQ-UHFFFAOYSA-N
XLogP-1.21
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-1.21
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-amine?
The IUPAC name of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine (CID 135903215) is 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)Nc2[nH]ncc21.
What is the InChIKey of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
The InChIKey is YQWJWRZPYNRQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O2S/c5-3-2-1-6-7-4(2)9-12(10,11)8-3/h1H,(H2,5,8)(H2,6,7,9).
What are the key properties of 2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine?
2,2-dioxo-1,7-dihydropyrazolo[5,4-c][1,2,6]thiadiazin-4-amine has a molecular weight of 187.18 g/mol, XLogP of -1.21, 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-amine is sourced from PubChem (CID 135903215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).