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

C7H9N5O2S — CID 10823168

IUPAC1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nccnc2C(N)=NS1(=O)=O
InChIInChI=1S/C7H9N5O2S/c1-2-12-7-5(9-3-4-10-7)6(8)11-15(12,13)14/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyAPMZXOBQPIBLSY-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.73
Rot. Bonds1

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

1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10823168) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10823168
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nccnc2C(N)=NS1(=O)=O
InChIInChI=1S/C7H9N5O2S/c1-2-12-7-5(9-3-4-10-7)6(8)11-15(12,13)14/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyAPMZXOBQPIBLSY-UHFFFAOYSA-N
XLogP-0.73
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 822307
CID 822307
CID 10421807
CID 10421807
CID 10608627
CID 10608627
CID 9881267
CID 9881267
CID 9881519
CID 9881519
CID 10423209
CID 10423209
CID 10492201
CID 10492201
CID 10656897
CID 10656897
CID 10660639
CID 10660639
CID 10729696
CID 10729696
CID 10778388
CID 10778388
CID 10824907
CID 10824907

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10823168) is 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2nccnc2C(N)=NS1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is APMZXOBQPIBLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-2-12-7-5(9-3-4-10-7)6(8)11-15(12,13)14/h3-4H,2H2,1H3,(H2,8,11).
What are the key properties of 1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 227.25 g/mol, XLogP of -0.73, 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-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10823168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).