diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate

C11H12N4O5 — CID 139267074

IUPACdiethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
SMILESCCOC(=O)c1nnc2c(C(=O)OCC)c[nH]n2c1=O
InChIInChI=1S/C11H12N4O5/c1-3-19-10(17)6-5-12-15-8(6)14-13-7(9(15)16)11(18)20-4-2/h5,12H,3-4H2,1-2H3
InChIKeyXBAWFXZVPCMWBA-UHFFFAOYSA-N
MW280.24 g/mol
LogP-0.23
Rot. Bonds4

About diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate

diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate (PubChem CID 139267074) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
PubChem CID139267074
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Namediethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
SMILESCCOC(=O)c1nnc2c(C(=O)OCC)c[nH]n2c1=O
InChIInChI=1S/C11H12N4O5/c1-3-19-10(17)6-5-12-15-8(6)14-13-7(9(15)16)11(18)20-4-2/h5,12H,3-4H2,1-2H3
InChIKeyXBAWFXZVPCMWBA-UHFFFAOYSA-N
XLogP-0.23
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 171352742
CID 171352742
ethyl 3-diethoxyphosphoryl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-8-carboxylate
CID 15401293
3-ethoxycarbonyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 67540522
ethyl 6-benzyl-5-chloro-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 54768557
ethyl 3-cyano-6-(2-hydroxyethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 15549755
ethyl 3-cyano-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 90417375
ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate
CID 573452
ethyl 2-methyl-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate
CID 162494493
ethyl 2-(2-ethylsulfonylethyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 82995312
ethyl 7-oxo-5-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126824361
ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 53380589
ethyl 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90110858

Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
The IUPAC name of diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate (CID 139267074) is diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate.
What is the SMILES notation for diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
The canonical SMILES for diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is CCOC(=O)c1nnc2c(C(=O)OCC)c[nH]n2c1=O.
What is the InChIKey of diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
The InChIKey is XBAWFXZVPCMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-3-19-10(17)6-5-12-15-8(6)14-13-7(9(15)16)11(18)20-4-2/h5,12H,3-4H2,1-2H3.
What are the key properties of diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate has a molecular weight of 280.24 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is sourced from PubChem (CID 139267074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).