ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate

C7H7N5O3 — CID 573452

IUPACethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1nnc2[nH]ncn2c1=O
InChIInChI=1S/C7H7N5O3/c1-2-15-6(14)4-5(13)12-3-8-10-7(12)11-9-4/h3H,2H2,1H3,(H,10,11)
InChIKeyPODRYVPXFMOARU-UHFFFAOYSA-N
MW209.16 g/mol
LogP-1.01
Rot. Bonds2

About ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate

ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate (PubChem CID 573452) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate
PubChem CID573452
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Nameethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1nnc2[nH]ncn2c1=O
InChIInChI=1S/C7H7N5O3/c1-2-15-6(14)4-5(13)12-3-8-10-7(12)11-9-4/h3H,2H2,1H3,(H,10,11)
InChIKeyPODRYVPXFMOARU-UHFFFAOYSA-N
XLogP-1.01
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate (CID 573452) is ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate is CCOC(=O)c1nnc2[nH]ncn2c1=O.
What is the InChIKey of ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate?
The InChIKey is PODRYVPXFMOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c1-2-15-6(14)4-5(13)12-3-8-10-7(12)11-9-4/h3H,2H2,1H3,(H,10,11).
What are the key properties of ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate?
ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate has a molecular weight of 209.16 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 573452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).