ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate

C13H17N3O4 — CID 143507020

IUPACethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate
SMILESCCOC(=O)c1c(C)c2c(=O)[nH]ncc2n1CCOC
InChIInChI=1S/C13H17N3O4/c1-4-20-13(18)11-8(2)10-9(7-14-15-12(10)17)16(11)5-6-19-3/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyYUCQKOZDFSCIEO-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.86
Rot. Bonds5

About ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate

ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate (PubChem CID 143507020) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate
PubChem CID143507020
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Nameethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate
SMILESCCOC(=O)c1c(C)c2c(=O)[nH]ncc2n1CCOC
InChIInChI=1S/C13H17N3O4/c1-4-20-13(18)11-8(2)10-9(7-14-15-12(10)17)16(11)5-6-19-3/h7H,4-6H2,1-3H3,(H,15,17)
InChIKeyYUCQKOZDFSCIEO-UHFFFAOYSA-N
XLogP0.86
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-oxo-4-propan-2-yl-1H-pyridazine-5-carboxylate
CID 54528927
ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate
CID 143506968
ethyl 3-[2-(4-oxo-5H-pyrazolo[4,5-d]pyridazin-1-yl)ethoxy]propanoate
CID 165392992
ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
CID 165392980
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate
CID 63356235
ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 4784441
ethyl 4-[bis(2-methoxyethyl)carbamoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 43954057
5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82469457
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
ethyl 2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 4197845
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate (CID 143507020) is ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate is CCOC(=O)c1c(C)c2c(=O)[nH]ncc2n1CCOC.
What is the InChIKey of ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
The InChIKey is YUCQKOZDFSCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-4-20-13(18)11-8(2)10-9(7-14-15-12(10)17)16(11)5-6-19-3/h7H,4-6H2,1-3H3,(H,15,17).
What are the key properties of ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate?
ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethyl)-3-methyl-4-oxo-5H-pyrrolo[2,3-d]pyridazine-2-carboxylate is sourced from PubChem (CID 143507020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).