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

C15H21N3O4 — CID 155365030

IUPAC4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=C(Oc1c2n(ncc1=O)CCN(CCC)C2=O)OC(C)C
InChIInChI=1S/C15H21N3O4/c1-5-6-17-7-8-18-13(15(17)20)14(12(19)9-16-18)22-11(4)21-10(2)3/h9-10H,4-8H2,1-3H3
InChIKeySEDLTIREJCKXSU-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.38
Rot. Bonds6

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

4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 155365030) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID155365030
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=C(Oc1c2n(ncc1=O)CCN(CCC)C2=O)OC(C)C
InChIInChI=1S/C15H21N3O4/c1-5-6-17-7-8-18-13(15(17)20)14(12(19)9-16-18)22-11(4)21-10(2)3/h9-10H,4-8H2,1-3H3
InChIKeySEDLTIREJCKXSU-UHFFFAOYSA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione 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 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 155365030) is 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is C=C(Oc1c2n(ncc1=O)CCN(CCC)C2=O)OC(C)C.
What is the InChIKey of 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is SEDLTIREJCKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-5-6-17-7-8-18-13(15(17)20)14(12(19)9-16-18)22-11(4)21-10(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 307.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 155365030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).