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

C15H21N3O5 — CID 123965305

IUPAC(3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)Oc1c2n(ncc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C15H21N3O5/c1-9(2)8-22-15(21)23-13-11(19)7-16-18-6-5-17(10(3)4)14(20)12(13)18/h7,9-10H,5-6,8H2,1-4H3
InChIKeyITEBPVZRDCCQMV-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.28
Rot. Bonds4

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

(3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate (PubChem CID 123965305) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate
PubChem CID123965305
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name(3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)Oc1c2n(ncc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C15H21N3O5/c1-9(2)8-22-15(21)23-13-11(19)7-16-18-6-5-17(10(3)4)14(20)12(13)18/h7,9-10H,5-6,8H2,1-4H3
InChIKeyITEBPVZRDCCQMV-UHFFFAOYSA-N
XLogP1.28
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate?
The IUPAC name of (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate (CID 123965305) is (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate.
What is the SMILES notation for (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate?
The canonical SMILES for (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate is CC(C)COC(=O)Oc1c2n(ncc1=O)CCN(C(C)C)C2=O.
What is the InChIKey of (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate?
The InChIKey is ITEBPVZRDCCQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-9(2)8-22-15(21)23-13-11(19)7-16-18-6-5-17(10(3)4)14(20)12(13)18/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate?
(3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate has a molecular weight of 323.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate is sourced from PubChem (CID 123965305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).