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

C14H19N3O6 — CID 142297141

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)OCC)c2C1=O
InChIInChI=1S/C14H19N3O6/c1-3-5-16-6-7-17-11(13(16)19)12(10(18)8-15-17)22-9-23-14(20)21-4-2/h8H,3-7,9H2,1-2H3
InChIKeyVIADUFUXJYRTGD-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.62
Rot. Bonds6

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

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate (PubChem CID 142297141) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate
PubChem CID142297141
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)OCC)c2C1=O
InChIInChI=1S/C14H19N3O6/c1-3-5-16-6-7-17-11(13(16)19)12(10(18)8-15-17)22-9-23-14(20)21-4-2/h8H,3-7,9H2,1-2H3
InChIKeyVIADUFUXJYRTGD-UHFFFAOYSA-N
XLogP0.62
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.62
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 ethyl 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 ethyl carbonate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate (CID 142297141) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate is CCCN1CCn2ncc(=O)c(OCOC(=O)OCC)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate?
The InChIKey is VIADUFUXJYRTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-3-5-16-6-7-17-11(13(16)19)12(10(18)8-15-17)22-9-23-14(20)21-4-2/h8H,3-7,9H2,1-2H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate has a molecular weight of 325.32 g/mol, XLogP of 0.62, 6 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 ethyl carbonate is sourced from PubChem (CID 142297141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).