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

C6H7N5O2S — CID 10608627

IUPAC1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCN1c2nccnc2C(N)=NS1(=O)=O
InChIInChI=1S/C6H7N5O2S/c1-11-6-4(8-2-3-9-6)5(7)10-14(11,12)13/h2-3H,1H3,(H2,7,10)
InChIKeyFYDLSDWUJNQMBP-UHFFFAOYSA-N
MW213.22 g/mol
LogP-1.12
Rot. Bonds

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

1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10608627) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10608627
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCN1c2nccnc2C(N)=NS1(=O)=O
InChIInChI=1S/C6H7N5O2S/c1-11-6-4(8-2-3-9-6)5(7)10-14(11,12)13/h2-3H,1H3,(H2,7,10)
InChIKeyFYDLSDWUJNQMBP-UHFFFAOYSA-N
XLogP-1.12
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10608627) is 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CN1c2nccnc2C(N)=NS1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is FYDLSDWUJNQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c1-11-6-4(8-2-3-9-6)5(7)10-14(11,12)13/h2-3H,1H3,(H2,7,10).
What are the key properties of 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 213.22 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10608627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).