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

C12H16N4O6 — CID 10913963

IUPACdimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate
SMILESCOC(=O)C1NNc2c(c(=O)n(C)c(=O)n2C)C1C(=O)OC
InChIInChI=1S/C12H16N4O6/c1-15-8-6(9(17)16(2)12(15)20)5(10(18)21-3)7(13-14-8)11(19)22-4/h5,7,13-14H,1-4H3
InChIKeyPVZYSOQQCHCGTK-UHFFFAOYSA-N
MW312.28 g/mol
LogP-2.19
Rot. Bonds2

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

dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate (PubChem CID 10913963) has the molecular formula C12H16N4O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate
PubChem CID10913963
Molecular FormulaC12H16N4O6
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Namedimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate
SMILESCOC(=O)C1NNc2c(c(=O)n(C)c(=O)n2C)C1C(=O)OC
InChIInChI=1S/C12H16N4O6/c1-15-8-6(9(17)16(2)12(15)20)5(10(18)21-3)7(13-14-8)11(19)22-4/h5,7,13-14H,1-4H3
InChIKeyPVZYSOQQCHCGTK-UHFFFAOYSA-N
XLogP-2.19
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
The IUPAC name of dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate (CID 10913963) is dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate is COC(=O)C1NNc2c(c(=O)n(C)c(=O)n2C)C1C(=O)OC.
What is the InChIKey of dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
The InChIKey is PVZYSOQQCHCGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O6/c1-15-8-6(9(17)16(2)12(15)20)5(10(18)21-3)7(13-14-8)11(19)22-4/h5,7,13-14H,1-4H3.
What are the key properties of dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate?
dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate has a molecular weight of 312.28 g/mol, XLogP of -2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6,8-dimethyl-5,7-dioxo-1,2,3,4-tetrahydropyrimido[4,5-c]pyridazine-3,4-dicarboxylate is sourced from PubChem (CID 10913963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).