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

C10H15N5O2S — CID 3072343

IUPAC1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c(nc1C)C(N)=NS(=O)(=O)N2CC
InChIInChI=1S/C10H15N5O2S/c1-4-7-6(3)12-8-9(11)14-18(16,17)15(5-2)10(8)13-7/h4-5H2,1-3H3,(H2,11,14)
InChIKeySOLKYHDELNQENI-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.14
Rot. Bonds2

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

1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 3072343) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID3072343
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c(nc1C)C(N)=NS(=O)(=O)N2CC
InChIInChI=1S/C10H15N5O2S/c1-4-7-6(3)12-8-9(11)14-18(16,17)15(5-2)10(8)13-7/h4-5H2,1-3H3,(H2,11,14)
InChIKeySOLKYHDELNQENI-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 3072343) is 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCc1nc2c(nc1C)C(N)=NS(=O)(=O)N2CC.
What is the InChIKey of 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is SOLKYHDELNQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-4-7-6(3)12-8-9(11)14-18(16,17)15(5-2)10(8)13-7/h4-5H2,1-3H3,(H2,11,14).
What are the key properties of 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 3072343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).