ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate

C8H10N2O4 — CID 89128623

IUPACethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(=O)cc1O
InChIInChI=1S/C8H10N2O4/c1-3-14-8(13)7-5(11)4-6(12)10(2)9-7/h4,11H,3H2,1-2H3
InChIKeyZEYGCCINNJYRRO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.34
Rot. Bonds2

About ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate

ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 89128623) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID89128623
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(=O)cc1O
InChIInChI=1S/C8H10N2O4/c1-3-14-8(13)7-5(11)4-6(12)10(2)9-7/h4,11H,3H2,1-2H3
InChIKeyZEYGCCINNJYRRO-UHFFFAOYSA-N
XLogP-0.34
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
ethyl 4-bromo-5-ethoxy-1-methylpyrazole-3-carboxylate
CID 164538576
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
CID 58307485
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
ethyl 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 83854577
ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987884
ethyl 2-methyl-4-(2-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118654965
ethyl 1,5-dimethyl-4-(2-methylphenyl)pyrazole-3-carboxylate
CID 54491280
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate (CID 89128623) is ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(C)c(=O)cc1O.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is ZEYGCCINNJYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-8(13)7-5(11)4-6(12)10(2)9-7/h4,11H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate?
ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 89128623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).