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

C12H15N3O4 — CID 142297205

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate
SMILESCCCN1CCn2ncc(=O)c(OC(C)=O)c2C1=O
InChIInChI=1S/C12H15N3O4/c1-3-4-14-5-6-15-10(12(14)18)11(19-8(2)16)9(17)7-13-15/h7H,3-6H2,1-2H3
InChIKeyQMJAOQZDTMVWCQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.03
Rot. Bonds3

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

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate (PubChem CID 142297205) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate
PubChem CID142297205
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate
SMILESCCCN1CCn2ncc(=O)c(OC(C)=O)c2C1=O
InChIInChI=1S/C12H15N3O4/c1-3-4-14-5-6-15-10(12(14)18)11(19-8(2)16)9(17)7-13-15/h7H,3-6H2,1-2H3
InChIKeyQMJAOQZDTMVWCQ-UHFFFAOYSA-N
XLogP0.03
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate (CID 142297205) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate is CCCN1CCn2ncc(=O)c(OC(C)=O)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate?
The InChIKey is QMJAOQZDTMVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-4-14-5-6-15-10(12(14)18)11(19-8(2)16)9(17)7-13-15/h7H,3-6H2,1-2H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate has a molecular weight of 265.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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) acetate is sourced from PubChem (CID 142297205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).