1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C9H7F6N5O2S — CID 10248124

IUPAC1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(C(F)(F)F)c(C(F)(F)F)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C9H7F6N5O2S/c1-2-20-7-3(6(16)19-23(20,21)22)17-4(8(10,11)12)5(18-7)9(13,14)15/h2H2,1H3,(H2,16,19)
InChIKeyFMVZAPOTAQMOCU-UHFFFAOYSA-N
MW363.24 g/mol
LogP1.30
Rot. Bonds1

About 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine

1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10248124) has the molecular formula C9H7F6N5O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10248124
Molecular FormulaC9H7F6N5O2S
Molecular Weight363.24 g/mol
Exact Mass363.02
IUPAC Name1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(C(F)(F)F)c(C(F)(F)F)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C9H7F6N5O2S/c1-2-20-7-3(6(16)19-23(20,21)22)17-4(8(10,11)12)5(18-7)9(13,14)15/h2H2,1H3,(H2,16,19)
InChIKeyFMVZAPOTAQMOCU-UHFFFAOYSA-N
XLogP1.30
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[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-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10248124) is 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2nc(C(F)(F)F)c(C(F)(F)F)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is FMVZAPOTAQMOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N5O2S/c1-2-20-7-3(6(16)19-23(20,21)22)17-4(8(10,11)12)5(18-7)9(13,14)15/h2H2,1H3,(H2,16,19).
What are the key properties of 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dioxo-6,7-bis(trifluoromethyl)pyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10248124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).