1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C11H17N5O2S — CID 10356468

IUPAC1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c(nc1CC)N(CC)S(=O)(=O)N=C2N
InChIInChI=1S/C11H17N5O2S/c1-4-7-8(5-2)14-11-9(13-7)10(12)15-19(17,18)16(11)6-3/h4-6H2,1-3H3,(H2,12,15)
InChIKeyMKCKWRWMJCLHNR-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.39
Rot. Bonds3

About 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10356468) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10356468
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c(nc1CC)N(CC)S(=O)(=O)N=C2N
InChIInChI=1S/C11H17N5O2S/c1-4-7-8(5-2)14-11-9(13-7)10(12)15-19(17,18)16(11)6-3/h4-6H2,1-3H3,(H2,12,15)
InChIKeyMKCKWRWMJCLHNR-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10356468) is 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCc1nc2c(nc1CC)N(CC)S(=O)(=O)N=C2N.
What is the InChIKey of 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is MKCKWRWMJCLHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-7-8(5-2)14-11-9(13-7)10(12)15-19(17,18)16(11)6-3/h4-6H2,1-3H3,(H2,12,15).
What are the key properties of 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 283.36 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-triethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10356468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).