4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C6H5N3O2S — CID 10012589

IUPAC4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2ccncc21
InChIInChI=1S/C6H5N3O2S/c10-12(11)6-3-7-2-1-5(6)8-4-9-12/h1-4H,(H,8,9)
InChIKeyQSZUXEXDOYFOBI-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.22
Rot. Bonds

About 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10012589) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10012589
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2ccncc21
InChIInChI=1S/C6H5N3O2S/c10-12(11)6-3-7-2-1-5(6)8-4-9-12/h1-4H,(H,8,9)
InChIKeyQSZUXEXDOYFOBI-UHFFFAOYSA-N
XLogP0.22
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10012589) is 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is O=S1(=O)N=CNc2ccncc21.
What is the InChIKey of 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is QSZUXEXDOYFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c10-12(11)6-3-7-2-1-5(6)8-4-9-12/h1-4H,(H,8,9).
What are the key properties of 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 183.19 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10012589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).