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

C12H15N3O4 — CID 144807844

IUPAC(6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)Oc1c2n(ncc1=O)CCN(C)C2=O
InChIInChI=1S/C12H15N3O4/c1-7(2)12(18)19-10-8(16)6-13-15-5-4-14(3)11(17)9(10)15/h6-7H,4-5H2,1-3H3
InChIKeyNSDFYVSWVSPOOJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.11
Rot. Bonds2

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

(6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate (PubChem CID 144807844) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
PubChem CID144807844
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)Oc1c2n(ncc1=O)CCN(C)C2=O
InChIInChI=1S/C12H15N3O4/c1-7(2)12(18)19-10-8(16)6-13-15-5-4-14(3)11(17)9(10)15/h6-7H,4-5H2,1-3H3
InChIKeyNSDFYVSWVSPOOJ-UHFFFAOYSA-N
XLogP-0.11
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-Dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate
CID 123965305
1-[(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate
CID 134314567
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate
CID 134314595
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate
CID 134314655
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
CID 142297144
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate
CID 142297205
4-Ethoxy-6-ethyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 144807853
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl formate
CID 155365117

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
The IUPAC name of (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate (CID 144807844) is (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate.
What is the SMILES notation for (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
The canonical SMILES for (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate is CC(C)C(=O)Oc1c2n(ncc1=O)CCN(C)C2=O.
What is the InChIKey of (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
The InChIKey is NSDFYVSWVSPOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(2)12(18)19-10-8(16)6-13-15-5-4-14(3)11(17)9(10)15/h6-7H,4-5H2,1-3H3.
What are the key properties of (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
(6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate has a molecular weight of 265.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate is sourced from PubChem (CID 144807844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).