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

C14H19N3O4 — CID 142297144

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
SMILESCCCN1CCn2ncc(=O)c(OC(=O)C(C)C)c2C1=O
InChIInChI=1S/C14H19N3O4/c1-4-5-16-6-7-17-11(13(16)19)12(10(18)8-15-17)21-14(20)9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyZMWPXPCNDCHMRC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.67
Rot. Bonds4

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

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate (PubChem CID 142297144) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
PubChem CID142297144
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
SMILESCCCN1CCn2ncc(=O)c(OC(=O)C(C)C)c2C1=O
InChIInChI=1S/C14H19N3O4/c1-4-5-16-6-7-17-11(13(16)19)12(10(18)8-15-17)21-14(20)9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyZMWPXPCNDCHMRC-UHFFFAOYSA-N
XLogP0.67
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.67
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)oxymethyl N-ethyl-N-methylcarbamate
CID 134314590
(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)oxymethyl ethyl carbonate
CID 142297141
4-(4-Methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 142297199
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate
CID 142297205
(6-Methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
CID 144807844
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 propan-2-yl carbonate
CID 155364918
4-(1-Propan-2-yloxyethenoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 155365030

Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate (CID 142297144) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate is CCCN1CCn2ncc(=O)c(OC(=O)C(C)C)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
The InChIKey is ZMWPXPCNDCHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-5-16-6-7-17-11(13(16)19)12(10(18)8-15-17)21-14(20)9(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate has a molecular weight of 293.32 g/mol, XLogP of 0.67, 4 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) 2-methylpropanoate is sourced from PubChem (CID 142297144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).