3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine

C8H10N4O3S — CID 152517599

IUPAC3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine
SMILESCCOC1=NS(=O)(=O)c2cnccc2N1N
InChIInChI=1S/C8H10N4O3S/c1-2-15-8-11-16(13,14)7-5-10-4-3-6(7)12(8)9/h3-5H,2,9H2,1H3
InChIKeyYGVUTLMBAOBGHZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.14
Rot. Bonds1

About 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine

3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine (PubChem CID 152517599) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine.

Molecular Properties

Compound Name3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine
PubChem CID152517599
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine
SMILESCCOC1=NS(=O)(=O)c2cnccc2N1N
InChIInChI=1S/C8H10N4O3S/c1-2-15-8-11-16(13,14)7-5-10-4-3-6(7)12(8)9/h3-5H,2,9H2,1H3
InChIKeyYGVUTLMBAOBGHZ-UHFFFAOYSA-N
XLogP-0.14
TPSA97.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine?
The IUPAC name of 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine (CID 152517599) is 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine.
What is the SMILES notation for 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine?
The canonical SMILES for 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine is CCOC1=NS(=O)(=O)c2cnccc2N1N.
What is the InChIKey of 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine?
The InChIKey is YGVUTLMBAOBGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-2-15-8-11-16(13,14)7-5-10-4-3-6(7)12(8)9/h3-5H,2,9H2,1H3.
What are the key properties of 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine?
3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine has a molecular weight of 242.26 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine is sourced from PubChem (CID 152517599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).