ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate

C9H9BrN4O3 — CID 137288424

IUPACethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate
SMILESCCOC(=O)c1nc(Br)n2nc(C)[nH]c(=O)c12
InChIInChI=1S/C9H9BrN4O3/c1-3-17-8(16)5-6-7(15)11-4(2)13-14(6)9(10)12-5/h3H2,1-2H3,(H,11,13,15)
InChIKeyCILMVWVIQOEFMA-UHFFFAOYSA-N
MW301.10 g/mol
LogP0.67
Rot. Bonds2

About ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate

ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate (PubChem CID 137288424) has the molecular formula C9H9BrN4O3 and a molecular weight of 301.10 g/mol. Its IUPAC name is ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate
PubChem CID137288424
Molecular FormulaC9H9BrN4O3
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Nameethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate
SMILESCCOC(=O)c1nc(Br)n2nc(C)[nH]c(=O)c12
InChIInChI=1S/C9H9BrN4O3/c1-3-17-8(16)5-6-7(15)11-4(2)13-14(6)9(10)12-5/h3H2,1-2H3,(H,11,13,15)
InChIKeyCILMVWVIQOEFMA-UHFFFAOYSA-N
XLogP0.67
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate with MolForge

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Related Compounds

ethyl 7-bromo-2-methyl-4-pyrrolidin-1-ylimidazo[5,1-f][1,2,4]triazine-5-carboxylate
CID 134961552
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 7-bromo-6-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369157
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
ethyl 7-oxo-8H-pteridine-6-carboxylate
CID 125448912
ethyl 2-bromo-5-formyl-1H-imidazole-4-carboxylate
CID 89231558
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 131355066
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514
ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 76849789
ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 18008890
ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate
CID 69219546

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate?
The IUPAC name of ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate (CID 137288424) is ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate.
What is the SMILES notation for ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate?
The canonical SMILES for ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate is CCOC(=O)c1nc(Br)n2nc(C)[nH]c(=O)c12.
What is the InChIKey of ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate?
The InChIKey is CILMVWVIQOEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O3/c1-3-17-8(16)5-6-7(15)11-4(2)13-14(6)9(10)12-5/h3H2,1-2H3,(H,11,13,15).
What are the key properties of ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate?
ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate has a molecular weight of 301.10 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate is sourced from PubChem (CID 137288424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).