ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate

C7H7N5O3 — CID 137201360

IUPACethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate
SMILESCCOC(=O)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C7H7N5O3/c1-2-15-7(14)12-6(13)4-5(10-11-12)9-3-8-4/h3H,2H2,1H3,(H,8,9)
InChIKeyLAMLETCIJLHYDY-UHFFFAOYSA-N
MW209.16 g/mol
LogP-0.48
Rot. Bonds1

About ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate

ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate (PubChem CID 137201360) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate
PubChem CID137201360
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Nameethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate
SMILESCCOC(=O)n1nnc2nc[nH]c2c1=O
InChIInChI=1S/C7H7N5O3/c1-2-15-7(14)12-6(13)4-5(10-11-12)9-3-8-4/h3H,2H2,1H3,(H,8,9)
InChIKeyLAMLETCIJLHYDY-UHFFFAOYSA-N
XLogP-0.48
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1-chloro-7H-purin-6-one;ethyl acetate
CID 87238739
ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
2-amino-1-ethyl-7H-purin-6-one
CID 18378033
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 5-ethoxytriazole-1-carboxylate
CID 134989866
ethyl (Z)-3-amino-2-(7H-purin-6-yl)prop-2-enoate
CID 13486110
1-amino-2-(2-methylpropanoyl)-7H-purin-6-one
CID 151465206
ethyl 7-bromo-3H-benzimidazole-4-carboxylate
CID 131300267
ethyl 4-methylbenzotriazole-1-carboxylate
CID 67917152
6-(1-ethoxyethenyl)-7H-purine
CID 18670312

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate (CID 137201360) is ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate is CCOC(=O)n1nnc2nc[nH]c2c1=O.
What is the InChIKey of ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate?
The InChIKey is LAMLETCIJLHYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c1-2-15-7(14)12-6(13)4-5(10-11-12)9-3-8-4/h3H,2H2,1H3,(H,8,9).
What are the key properties of ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate?
ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate has a molecular weight of 209.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5H-imidazo[4,5-d]triazine-3-carboxylate is sourced from PubChem (CID 137201360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).