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

C9H13N5O2S — CID 10015226

IUPAC7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c(nc1C)C(N)=NS(=O)(=O)N2C
InChIInChI=1S/C9H13N5O2S/c1-4-6-5(2)11-7-8(10)13-17(15,16)14(3)9(7)12-6/h4H2,1-3H3,(H2,10,13)
InChIKeyBDORNVKZLKRCSO-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.25
Rot. Bonds1

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

7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10015226) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10015226
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1nc2c(nc1C)C(N)=NS(=O)(=O)N2C
InChIInChI=1S/C9H13N5O2S/c1-4-6-5(2)11-7-8(10)13-17(15,16)14(3)9(7)12-6/h4H2,1-3H3,(H2,10,13)
InChIKeyBDORNVKZLKRCSO-UHFFFAOYSA-N
XLogP-0.25
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10015226) is 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCc1nc2c(nc1C)C(N)=NS(=O)(=O)N2C.
What is the InChIKey of 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is BDORNVKZLKRCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-4-6-5(2)11-7-8(10)13-17(15,16)14(3)9(7)12-6/h4H2,1-3H3,(H2,10,13).
What are the key properties of 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 255.30 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,6-dimethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10015226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).