2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C11H6N4O2S — CID 23728046

IUPAC2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1cnn2c(=O)c(=Cc3ccccn3)sc2n1
InChIInChI=1S/C11H6N4O2S/c16-9-6-13-15-10(17)8(18-11(15)14-9)5-7-3-1-2-4-12-7/h1-6H
InChIKeyDDKIUGPFSHMYPN-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.55
Rot. Bonds1

About 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 23728046) has the molecular formula C11H6N4O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID23728046
Molecular FormulaC11H6N4O2S
Molecular Weight258.26 g/mol
Exact Mass258.02
IUPAC Name2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1cnn2c(=O)c(=Cc3ccccn3)sc2n1
InChIInChI=1S/C11H6N4O2S/c16-9-6-13-15-10(17)8(18-11(15)14-9)5-7-3-1-2-4-12-7/h1-6H
InChIKeyDDKIUGPFSHMYPN-UHFFFAOYSA-N
XLogP-0.55
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 23728046) is 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=c1cnn2c(=O)c(=Cc3ccccn3)sc2n1.
What is the InChIKey of 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is DDKIUGPFSHMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O2S/c16-9-6-13-15-10(17)8(18-11(15)14-9)5-7-3-1-2-4-12-7/h1-6H.
What are the key properties of 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 258.26 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 23728046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).