6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C11H17N5O2S — CID 10660639

IUPAC6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2ncc(C(C)(C)C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C11H17N5O2S/c1-5-16-10-8(9(12)15-19(16,17)18)14-7(6-13-10)11(2,3)4/h6H,5H2,1-4H3,(H2,12,15)
InChIKeyLEIMUXAAOKRODR-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.56
Rot. Bonds1

About 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10660639) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10660639
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2ncc(C(C)(C)C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C11H17N5O2S/c1-5-16-10-8(9(12)15-19(16,17)18)14-7(6-13-10)11(2,3)4/h6H,5H2,1-4H3,(H2,12,15)
InChIKeyLEIMUXAAOKRODR-UHFFFAOYSA-N
XLogP0.56
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10660639) is 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2ncc(C(C)(C)C)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is LEIMUXAAOKRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-5-16-10-8(9(12)15-19(16,17)18)14-7(6-13-10)11(2,3)4/h6H,5H2,1-4H3,(H2,12,15).
What are the key properties of 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 283.36 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10660639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).