6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C10H15N5O2S — CID 10423209

IUPAC6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCCN1c2nc(C)c(C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C10H15N5O2S/c1-4-5-15-10-8(9(11)14-18(15,16)17)12-6(2)7(3)13-10/h4-5H2,1-3H3,(H2,11,14)
InChIKeyKWTORICRZKWMSY-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.27
Rot. Bonds2

About 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine

6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10423209) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10423209
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCCN1c2nc(C)c(C)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C10H15N5O2S/c1-4-5-15-10-8(9(11)14-18(15,16)17)12-6(2)7(3)13-10/h4-5H2,1-3H3,(H2,11,14)
InChIKeyKWTORICRZKWMSY-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10423209) is 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCCN1c2nc(C)c(C)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is KWTORICRZKWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-4-5-15-10-8(9(11)14-18(15,16)17)12-6(2)7(3)13-10/h4-5H2,1-3H3,(H2,11,14).
What are the key properties of 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,2-dioxo-1-propylpyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10423209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).