1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine

C6H6N4O2S — CID 3054010

IUPAC1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
SMILESNC1=NS(=O)(=O)c2cccnc2N1
InChIInChI=1S/C6H6N4O2S/c7-6-9-5-4(2-1-3-8-5)13(11,12)10-6/h1-3H,(H3,7,8,9,10)
InChIKeyUQTJYTXARBUZHM-UHFFFAOYSA-N
MW198.21 g/mol
LogP-0.49
Rot. Bonds

About 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine

1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine (PubChem CID 3054010) has the molecular formula C6H6N4O2S and a molecular weight of 198.21 g/mol. Its IUPAC name is 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine.

Molecular Properties

Compound Name1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
PubChem CID3054010
Molecular FormulaC6H6N4O2S
Molecular Weight198.21 g/mol
Exact Mass198.02
IUPAC Name1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
SMILESNC1=NS(=O)(=O)c2cccnc2N1
InChIInChI=1S/C6H6N4O2S/c7-6-9-5-4(2-1-3-8-5)13(11,12)10-6/h1-3H,(H3,7,8,9,10)
InChIKeyUQTJYTXARBUZHM-UHFFFAOYSA-N
XLogP-0.49
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine?
The IUPAC name of 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine (CID 3054010) is 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine.
What is the SMILES notation for 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine?
The canonical SMILES for 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine is NC1=NS(=O)(=O)c2cccnc2N1.
What is the InChIKey of 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine?
The InChIKey is UQTJYTXARBUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S/c7-6-9-5-4(2-1-3-8-5)13(11,12)10-6/h1-3H,(H3,7,8,9,10).
What are the key properties of 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine?
1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine has a molecular weight of 198.21 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine is sourced from PubChem (CID 3054010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).