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

C8H11N5O2S — CID 10421807

IUPAC1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(C)cnc2C(N)=NS1(=O)=O
InChIInChI=1S/C8H11N5O2S/c1-3-13-8-6(10-4-5(2)11-8)7(9)12-16(13,14)15/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyMFQBDZSMSSCZEG-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.42
Rot. Bonds1

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

1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10421807) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10421807
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(C)cnc2C(N)=NS1(=O)=O
InChIInChI=1S/C8H11N5O2S/c1-3-13-8-6(10-4-5(2)11-8)7(9)12-16(13,14)15/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyMFQBDZSMSSCZEG-UHFFFAOYSA-N
XLogP-0.42
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10608627
1-Ethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 9881267
1-Ethyl-6,7-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 9881519
6,7-Dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10423209
1-[2-(Dimethylamino)ethyl]-6,7-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10469978
1-Ethyl-2,2-dioxo-6-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10492201
1,6-Dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10656897
6-Tert-butyl-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10660639
Ethyl 2-(4-amino-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-1-yl)acetate
CID 10685529
1,7-Diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10729696
1-Ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10778388
1-Ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 10823168

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10421807) is 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2nc(C)cnc2C(N)=NS1(=O)=O.
What is the InChIKey of 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is MFQBDZSMSSCZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-3-13-8-6(10-4-5(2)11-8)7(9)12-16(13,14)15/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 241.28 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10421807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).