ethyl 1-benzyl-6-oxopyridazine-4-carboxylate

C14H14N2O3 — CID 118938057

IUPACethyl 1-benzyl-6-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)12-8-13(17)16(15-9-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyZIAMVSQQQBXVJF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.47
Rot. Bonds4

About ethyl 1-benzyl-6-oxopyridazine-4-carboxylate

ethyl 1-benzyl-6-oxopyridazine-4-carboxylate (PubChem CID 118938057) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 1-benzyl-6-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-6-oxopyridazine-4-carboxylate
PubChem CID118938057
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 1-benzyl-6-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C14H14N2O3/c1-2-19-14(18)12-8-13(17)16(15-9-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyZIAMVSQQQBXVJF-UHFFFAOYSA-N
XLogP1.47
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
chloroethane;ethyl benzoate
CID 91175503
2-benzyl-5-phenylpyridazin-3-one
CID 71418083
ethyl 1-benzyl-5-chloro-1,2,4-triazole-3-carboxylate
CID 155357284
diethyl 1-benzyl-4-iodopyrazole-3,5-dicarboxylate
CID 135309002
(1-benzyl-4-bromo-3-methylpyrazol-5-yl)methanol;ethyl 1-benzyl-4-bromo-3-methylpyrazole-5-carboxylate
CID 165067539
dibenzyl 2-[(1-benzyl-6-oxopyridazin-4-yl)methylidene]propanedioate
CID 24748773
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
CID 66570485
5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-6-oxopyridazine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-6-oxopyridazine-4-carboxylate (CID 118938057) is ethyl 1-benzyl-6-oxopyridazine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-6-oxopyridazine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-6-oxopyridazine-4-carboxylate is CCOC(=O)c1cnn(Cc2ccccc2)c(=O)c1.
What is the InChIKey of ethyl 1-benzyl-6-oxopyridazine-4-carboxylate?
The InChIKey is ZIAMVSQQQBXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-14(18)12-8-13(17)16(15-9-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 1-benzyl-6-oxopyridazine-4-carboxylate?
ethyl 1-benzyl-6-oxopyridazine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-6-oxopyridazine-4-carboxylate is sourced from PubChem (CID 118938057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).