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

C9H13N5O2S — CID 10729696

IUPAC1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1cnc2c(n1)N(CC)S(=O)(=O)N=C2N
InChIInChI=1S/C9H13N5O2S/c1-3-6-5-11-7-8(10)13-17(15,16)14(4-2)9(7)12-6/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyOYOACGSGETVTNT-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.17
Rot. Bonds2

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

1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10729696) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10729696
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCc1cnc2c(n1)N(CC)S(=O)(=O)N=C2N
InChIInChI=1S/C9H13N5O2S/c1-3-6-5-11-7-8(10)13-17(15,16)14(4-2)9(7)12-6/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyOYOACGSGETVTNT-UHFFFAOYSA-N
XLogP-0.17
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10729696) is 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCc1cnc2c(n1)N(CC)S(=O)(=O)N=C2N.
What is the InChIKey of 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is OYOACGSGETVTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-3-6-5-11-7-8(10)13-17(15,16)14(4-2)9(7)12-6/h5H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 255.30 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10729696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).