7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C11H17N5O2S — CID 10265850

IUPAC7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCCN1c2nc(CC)c(C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C11H17N5O2S/c1-4-6-16-11-9(10(12)15-19(16,17)18)13-7(3)8(5-2)14-11/h4-6H2,1-3H3,(H2,12,15)
InChIKeyBTSZTXWYMRBWDV-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.53
Rot. Bonds3

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

7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10265850) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10265850
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCCN1c2nc(CC)c(C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C11H17N5O2S/c1-4-6-16-11-9(10(12)15-19(16,17)18)13-7(3)8(5-2)14-11/h4-6H2,1-3H3,(H2,12,15)
InChIKeyBTSZTXWYMRBWDV-UHFFFAOYSA-N
XLogP0.53
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10265850) is 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCCN1c2nc(CC)c(C)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is BTSZTXWYMRBWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-6-16-11-9(10(12)15-19(16,17)18)13-7(3)8(5-2)14-11/h4-6H2,1-3H3,(H2,12,15).
What are the key properties of 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 283.36 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10265850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).