1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid

C8H10N2O4 — CID 114695992

IUPAC1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid
SMILESCCOCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-5-10-7(11)4-3-6(9-10)8(12)13/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyDPHUVGAXKYUVKT-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.06
Rot. Bonds4

About 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid

1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 114695992) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID114695992
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid
SMILESCCOCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-2-14-5-10-7(11)4-3-6(9-10)8(12)13/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyDPHUVGAXKYUVKT-UHFFFAOYSA-N
XLogP-0.06
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Hydroxymethyl)-2-methyl-pyridazin-3-one
CID 52947892
1,6-Dihydro-6-oxo-1-propyl-3-pyridazinecarboxylic acid
CID 2119245
1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2366695
1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 1965473
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 8899701
3-(2,2,2-Trifluoroethoxy)propyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 75526290
6-Oxo-1-(2,2,2-trifluoroethoxymethyl)pyridazine-3-carboxylic acid
CID 106705203
1-Isopropyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 52057201
Methyl 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 59006682
Methyl 1,6-dihydro-6-oxo-1-propyl-3-pyridazinecarboxylate
CID 78906234
Ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
CID 89128623

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid (CID 114695992) is 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid is CCOCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is DPHUVGAXKYUVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-5-10-7(11)4-3-6(9-10)8(12)13/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid?
1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114695992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).