1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate

C8H9N2O4- — CID 8899700

IUPAC1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
SMILESCOCCn1nc(C(=O)[O-])ccc1=O
InChIInChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)/p-1
InChIKeyRSOSHWXWMIHOSG-UHFFFAOYSA-M
MW197.17 g/mol
LogP-1.75
Rot. Bonds4

About 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate

1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate (PubChem CID 8899700) has the molecular formula C8H9N2O4- and a molecular weight of 197.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
PubChem CID8899700
Molecular FormulaC8H9N2O4-
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Name1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
SMILESCOCCn1nc(C(=O)[O-])ccc1=O
InChIInChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)/p-1
InChIKeyRSOSHWXWMIHOSG-UHFFFAOYSA-M
XLogP-1.75
TPSA84.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
Ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
CID 55008099
Methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
CID 139512250
1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 8899701
2,2-Difluoroethyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 53597680
Ethyl 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetate
CID 81297609
ethyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130861
6-Oxo-1-[2-(trifluoromethoxy)ethyl]pyridazine-3-carboxylic acid
CID 114696055
6-Oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazine-3-carboxylic acid
CID 114696071
Ethyl 1-(2-fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 122155385
Methyl 2-[6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]propanoate
CID 122239471
methyl (2R)-2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]propanoate
CID 129531949

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate (CID 8899700) is 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate is COCCn1nc(C(=O)[O-])ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is RSOSHWXWMIHOSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)/p-1.
What are the key properties of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 197.17 g/mol, XLogP of -1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 8899700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).