6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C14H11N5O4S — CID 11791780

IUPAC6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCN1c2nc(-c3ccco3)c(-c3ccco3)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C14H11N5O4S/c1-19-14-12(13(15)18-24(19,20)21)16-10(8-4-2-6-22-8)11(17-14)9-5-3-7-23-9/h2-7H,1H3,(H2,15,18)
InChIKeyZFRMLDBEBIYOGL-UHFFFAOYSA-N
MW345.34 g/mol
LogP1.40
Rot. Bonds2

About 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 11791780) has the molecular formula C14H11N5O4S and a molecular weight of 345.34 g/mol. Its IUPAC name is 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID11791780
Molecular FormulaC14H11N5O4S
Molecular Weight345.34 g/mol
Exact Mass345.05
IUPAC Name6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCN1c2nc(-c3ccco3)c(-c3ccco3)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C14H11N5O4S/c1-19-14-12(13(15)18-24(19,20)21)16-10(8-4-2-6-22-8)11(17-14)9-5-3-7-23-9/h2-7H,1H3,(H2,15,18)
InChIKeyZFRMLDBEBIYOGL-UHFFFAOYSA-N
XLogP1.40
TPSA127.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 11791780) is 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CN1c2nc(-c3ccco3)c(-c3ccco3)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is ZFRMLDBEBIYOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4S/c1-19-14-12(13(15)18-24(19,20)21)16-10(8-4-2-6-22-8)11(17-14)9-5-3-7-23-9/h2-7H,1H3,(H2,15,18).
What are the key properties of 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 345.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(furan-2-yl)-1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 11791780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).