1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C10H15N5O2S — CID 10778388

IUPAC1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2ncc(C(C)C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C10H15N5O2S/c1-4-15-10-8(9(11)14-18(15,16)17)13-7(5-12-10)6(2)3/h5-6H,4H2,1-3H3,(H2,11,14)
InChIKeyFNDHNNYMEARBKG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.39
Rot. Bonds2

About 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10778388) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10778388
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2ncc(C(C)C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C10H15N5O2S/c1-4-15-10-8(9(11)14-18(15,16)17)13-7(5-12-10)6(2)3/h5-6H,4H2,1-3H3,(H2,11,14)
InChIKeyFNDHNNYMEARBKG-UHFFFAOYSA-N
XLogP0.39
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10778388) is 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2ncc(C(C)C)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is FNDHNNYMEARBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-4-15-10-8(9(11)14-18(15,16)17)13-7(5-12-10)6(2)3/h5-6H,4H2,1-3H3,(H2,11,14).
What are the key properties of 1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1-ethyl-2,2-dioxo-6-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 0.39, 2 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-propan-2-ylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10778388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).