1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine

C13H13N5O2S — CID 130338634

IUPAC1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine
SMILESCC(N)C1=Nc2nccnc2S(=O)(=O)N1c1ccccc1
InChIInChI=1S/C13H13N5O2S/c1-9(14)12-17-11-13(16-8-7-15-11)21(19,20)18(12)10-5-3-2-4-6-10/h2-9H,14H2,1H3
InChIKeyJWIOYWAFJSTXQV-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.06
Rot. Bonds2

About 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine

1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine (PubChem CID 130338634) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine
PubChem CID130338634
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine
SMILESCC(N)C1=Nc2nccnc2S(=O)(=O)N1c1ccccc1
InChIInChI=1S/C13H13N5O2S/c1-9(14)12-17-11-13(16-8-7-15-11)21(19,20)18(12)10-5-3-2-4-6-10/h2-9H,14H2,1H3
InChIKeyJWIOYWAFJSTXQV-UHFFFAOYSA-N
XLogP1.06
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine (CID 130338634) is 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine is CC(N)C1=Nc2nccnc2S(=O)(=O)N1c1ccccc1.
What is the InChIKey of 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine?
The InChIKey is JWIOYWAFJSTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-9(14)12-17-11-13(16-8-7-15-11)21(19,20)18(12)10-5-3-2-4-6-10/h2-9H,14H2,1H3.
What are the key properties of 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine?
1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine has a molecular weight of 303.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2-phenylpyrazino[2,3-e][1,2,4]thiadiazin-3-yl)ethanamine is sourced from PubChem (CID 130338634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).