ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate

C10H13N5O4S — CID 10685529

IUPACethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate
SMILESCCOC(=O)CN1c2ncc(C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C10H13N5O4S/c1-3-19-7(16)5-15-10-8(13-6(2)4-12-10)9(11)14-20(15,17)18/h4H,3,5H2,1-2H3,(H2,11,14)
InChIKeyZSOKMYCUYLWAMG-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.88
Rot. Bonds3

About ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate

ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate (PubChem CID 10685529) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate
PubChem CID10685529
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Nameethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate
SMILESCCOC(=O)CN1c2ncc(C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C10H13N5O4S/c1-3-19-7(16)5-15-10-8(13-6(2)4-12-10)9(11)14-20(15,17)18/h4H,3,5H2,1-2H3,(H2,11,14)
InChIKeyZSOKMYCUYLWAMG-UHFFFAOYSA-N
XLogP-0.88
TPSA127.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate (CID 10685529) is ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate is CCOC(=O)CN1c2ncc(C)nc2C(N)=NS1(=O)=O.
What is the InChIKey of ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate?
The InChIKey is ZSOKMYCUYLWAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-3-19-7(16)5-15-10-8(13-6(2)4-12-10)9(11)14-20(15,17)18/h4H,3,5H2,1-2H3,(H2,11,14).
What are the key properties of ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate?
ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate has a molecular weight of 299.31 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate is sourced from PubChem (CID 10685529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).