diethyl phthalazine-6,7-dicarboxylate

C14H14N2O4 — CID 13115748

IUPACdiethyl phthalazine-6,7-dicarboxylate
SMILESCCOC(=O)c1cc2cnncc2cc1C(=O)OCC
InChIInChI=1S/C14H14N2O4/c1-3-19-13(17)11-5-9-7-15-16-8-10(9)6-12(11)14(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKeyRODJPOFTEKHAGW-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.98
Rot. Bonds4

About diethyl phthalazine-6,7-dicarboxylate

diethyl phthalazine-6,7-dicarboxylate (PubChem CID 13115748) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is diethyl phthalazine-6,7-dicarboxylate.

Molecular Properties

Compound Namediethyl phthalazine-6,7-dicarboxylate
PubChem CID13115748
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namediethyl phthalazine-6,7-dicarboxylate
SMILESCCOC(=O)c1cc2cnncc2cc1C(=O)OCC
InChIInChI=1S/C14H14N2O4/c1-3-19-13(17)11-5-9-7-15-16-8-10(9)6-12(11)14(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKeyRODJPOFTEKHAGW-UHFFFAOYSA-N
XLogP1.98
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10517655
ethyl 5-(bromomethyl)pyridazine-4-carboxylate
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ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
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diethyl 3-iodopyridazine-4,5-dicarboxylate
CID 11405390
ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate
CID 172558612
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
CID 122232828
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
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diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643

Frequently Asked Questions

What is the IUPAC name of diethyl phthalazine-6,7-dicarboxylate?
The IUPAC name of diethyl phthalazine-6,7-dicarboxylate (CID 13115748) is diethyl phthalazine-6,7-dicarboxylate.
What is the SMILES notation for diethyl phthalazine-6,7-dicarboxylate?
The canonical SMILES for diethyl phthalazine-6,7-dicarboxylate is CCOC(=O)c1cc2cnncc2cc1C(=O)OCC.
What is the InChIKey of diethyl phthalazine-6,7-dicarboxylate?
The InChIKey is RODJPOFTEKHAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-19-13(17)11-5-9-7-15-16-8-10(9)6-12(11)14(18)20-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl phthalazine-6,7-dicarboxylate?
diethyl phthalazine-6,7-dicarboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl phthalazine-6,7-dicarboxylate is sourced from PubChem (CID 13115748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).