diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate

C11H15N5O4 — CID 137278990

IUPACdiethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
SMILESCCOC(=O)C1=C(N)n2ncc(C(=O)OCC)c2NN1
InChIInChI=1S/C11H15N5O4/c1-3-19-10(17)6-5-13-16-8(12)7(11(18)20-4-2)14-15-9(6)16/h5,14-15H,3-4,12H2,1-2H3
InChIKeyIXQFNQOAZAASEF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.36
Rot. Bonds4

About diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate

diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate (PubChem CID 137278990) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
PubChem CID137278990
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Namediethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
SMILESCCOC(=O)C1=C(N)n2ncc(C(=O)OCC)c2NN1
InChIInChI=1S/C11H15N5O4/c1-3-19-10(17)6-5-13-16-8(12)7(11(18)20-4-2)14-15-9(6)16/h5,14-15H,3-4,12H2,1-2H3
InChIKeyIXQFNQOAZAASEF-UHFFFAOYSA-N
XLogP-0.36
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 692270
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CID 83808189
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136775871
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoate
CID 3376847
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 19839439

Frequently Asked Questions

What is the IUPAC name of diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
The IUPAC name of diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate (CID 137278990) is diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate.
What is the SMILES notation for diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
The canonical SMILES for diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is CCOC(=O)C1=C(N)n2ncc(C(=O)OCC)c2NN1.
What is the InChIKey of diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
The InChIKey is IXQFNQOAZAASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-3-19-10(17)6-5-13-16-8(12)7(11(18)20-4-2)14-15-9(6)16/h5,14-15H,3-4,12H2,1-2H3.
What are the key properties of diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate?
diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate has a molecular weight of 281.27 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate is sourced from PubChem (CID 137278990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).