4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C13H17N3O4 — CID 155364917

IUPAC4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=COCOc1c2n(ncc1=O)CCN(CCC)C2=O
InChIInChI=1S/C13H17N3O4/c1-3-5-15-6-7-16-11(13(15)18)12(10(17)8-14-16)20-9-19-4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeyPZUNEBRRZXEZDI-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.61
Rot. Bonds6

About 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 155364917) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID155364917
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=COCOc1c2n(ncc1=O)CCN(CCC)C2=O
InChIInChI=1S/C13H17N3O4/c1-3-5-15-6-7-16-11(13(15)18)12(10(17)8-14-16)20-9-19-4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeyPZUNEBRRZXEZDI-UHFFFAOYSA-N
XLogP0.61
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 155364917) is 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is C=COCOc1c2n(ncc1=O)CCN(CCC)C2=O.
What is the InChIKey of 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is PZUNEBRRZXEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-5-15-6-7-16-11(13(15)18)12(10(17)8-14-16)20-9-19-4-2/h4,8H,2-3,5-7,9H2,1H3.
What are the key properties of 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 279.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 155364917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).