(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate

C13H17N3O6 — CID 134314655

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)OC)c2C1=O
InChIInChI=1S/C13H17N3O6/c1-3-4-15-5-6-16-10(12(15)18)11(9(17)7-14-16)21-8-22-13(19)20-2/h7H,3-6,8H2,1-2H3
InChIKeyFGIQAAZZFXCLME-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.23
Rot. Bonds5

About (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate (PubChem CID 134314655) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate
PubChem CID134314655
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)OC)c2C1=O
InChIInChI=1S/C13H17N3O6/c1-3-4-15-5-6-16-10(12(15)18)11(9(17)7-14-16)21-8-22-13(19)20-2/h7H,3-6,8H2,1-2H3
InChIKeyFGIQAAZZFXCLME-UHFFFAOYSA-N
XLogP0.23
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate (CID 134314655) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate is CCCN1CCn2ncc(=O)c(OCOC(=O)OC)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate?
The InChIKey is FGIQAAZZFXCLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6/c1-3-4-15-5-6-16-10(12(15)18)11(9(17)7-14-16)21-8-22-13(19)20-2/h7H,3-6,8H2,1-2H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate has a molecular weight of 311.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate is sourced from PubChem (CID 134314655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).