diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate

C14H20N4O6 — CID 15851486

IUPACdiethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate
SMILESCCOC(=O)C1NNc2c(c(=O)n(C)c(=O)n2C)C1C(=O)OCC
InChIInChI=1S/C14H20N4O6/c1-5-23-12(20)7-8-10(16-15-9(7)13(21)24-6-2)17(3)14(22)18(4)11(8)19/h7,9,15-16H,5-6H2,1-4H3
InChIKeyIPCHAKUSCJBHMY-UHFFFAOYSA-N
MW340.34 g/mol
LogP-1.41
Rot. Bonds4

About diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate

diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate (PubChem CID 15851486) has the molecular formula C14H20N4O6 and a molecular weight of 340.34 g/mol. Its IUPAC name is diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate
PubChem CID15851486
Molecular FormulaC14H20N4O6
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC Namediethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate
SMILESCCOC(=O)C1NNc2c(c(=O)n(C)c(=O)n2C)C1C(=O)OCC
InChIInChI=1S/C14H20N4O6/c1-5-23-12(20)7-8-10(16-15-9(7)13(21)24-6-2)17(3)14(22)18(4)11(8)19/h7,9,15-16H,5-6H2,1-4H3
InChIKeyIPCHAKUSCJBHMY-UHFFFAOYSA-N
XLogP-1.41
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
The IUPAC name of diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate (CID 15851486) is diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
The canonical SMILES for diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate is CCOC(=O)C1NNc2c(c(=O)n(C)c(=O)n2C)C1C(=O)OCC.
What is the InChIKey of diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
The InChIKey is IPCHAKUSCJBHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O6/c1-5-23-12(20)7-8-10(16-15-9(7)13(21)24-6-2)17(3)14(22)18(4)11(8)19/h7,9,15-16H,5-6H2,1-4H3.
What are the key properties of diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate has a molecular weight of 340.34 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate is sourced from PubChem (CID 15851486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).