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

C15H21N3O5 — CID 142297191

IUPAC4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=C(OCC)OCOc1c2n(ncc1=O)CCN(CCC)C2=O
InChIInChI=1S/C15H21N3O5/c1-4-6-17-7-8-18-13(15(17)20)14(12(19)9-16-18)23-10-22-11(3)21-5-2/h9H,3-8,10H2,1-2H3
InChIKeyYIQPOIXTLQFDTG-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.97
Rot. Bonds8

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

4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 142297191) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID142297191
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=C(OCC)OCOc1c2n(ncc1=O)CCN(CCC)C2=O
InChIInChI=1S/C15H21N3O5/c1-4-6-17-7-8-18-13(15(17)20)14(12(19)9-16-18)23-10-22-11(3)21-5-2/h9H,3-8,10H2,1-2H3
InChIKeyYIQPOIXTLQFDTG-UHFFFAOYSA-N
XLogP0.97
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 142297191) is 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is C=C(OCC)OCOc1c2n(ncc1=O)CCN(CCC)C2=O.
What is the InChIKey of 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is YIQPOIXTLQFDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-4-6-17-7-8-18-13(15(17)20)14(12(19)9-16-18)23-10-22-11(3)21-5-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 323.35 g/mol, XLogP of 0.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 142297191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).