6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C13H12ClN5O2S — CID 10544951

IUPAC6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(-c3ccccc3)c(Cl)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C13H12ClN5O2S/c1-2-19-13-10(12(15)18-22(19,20)21)16-11(14)9(17-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyASALUAHRBYGSCA-UHFFFAOYSA-N
MW337.79 g/mol
LogP1.59
Rot. Bonds2

About 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10544951) has the molecular formula C13H12ClN5O2S and a molecular weight of 337.79 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10544951
Molecular FormulaC13H12ClN5O2S
Molecular Weight337.79 g/mol
Exact Mass337.04
IUPAC Name6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(-c3ccccc3)c(Cl)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C13H12ClN5O2S/c1-2-19-13-10(12(15)18-22(19,20)21)16-11(14)9(17-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyASALUAHRBYGSCA-UHFFFAOYSA-N
XLogP1.59
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10544951) is 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2nc(-c3ccccc3)c(Cl)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is ASALUAHRBYGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2S/c1-2-19-13-10(12(15)18-22(19,20)21)16-11(14)9(17-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,15,18).
What are the key properties of 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 337.79 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2,2-dioxo-7-phenylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10544951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).