3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one

C13H12N4O2S — CID 2816755

IUPAC3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one
SMILESO=c1c(N2CCOCC2)nnc2sc3ccccc3n12
InChIInChI=1S/C13H12N4O2S/c18-12-11(16-5-7-19-8-6-16)14-15-13-17(12)9-3-1-2-4-10(9)20-13/h1-4H,5-8H2
InChIKeyYRIMOKFVDIJXPX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.14
Rot. Bonds1

About 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one

3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one (PubChem CID 2816755) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one
PubChem CID2816755
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one
SMILESO=c1c(N2CCOCC2)nnc2sc3ccccc3n12
InChIInChI=1S/C13H12N4O2S/c18-12-11(16-5-7-19-8-6-16)14-15-13-17(12)9-3-1-2-4-10(9)20-13/h1-4H,5-8H2
InChIKeyYRIMOKFVDIJXPX-UHFFFAOYSA-N
XLogP1.14
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one?
The IUPAC name of 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one (CID 2816755) is 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one?
The canonical SMILES for 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one is O=c1c(N2CCOCC2)nnc2sc3ccccc3n12.
What is the InChIKey of 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one?
The InChIKey is YRIMOKFVDIJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-12-11(16-5-7-19-8-6-16)14-15-13-17(12)9-3-1-2-4-10(9)20-13/h1-4H,5-8H2.
What are the key properties of 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one?
3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one has a molecular weight of 288.33 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 2816755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).