ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate

C9H9N3O3 — CID 76849789

IUPACethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2cc[nH]c(=O)c12
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-7-8(13)10-3-4-12(7)5-11-6/h3-5H,2H2,1H3,(H,10,13)
InChIKeyZBSXWXNJCBGYKO-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.20
Rot. Bonds2

About ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate

ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 76849789) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID76849789
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Nameethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2cc[nH]c(=O)c12
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-7-8(13)10-3-4-12(7)5-11-6/h3-5H,2H2,1H3,(H,10,13)
InChIKeyZBSXWXNJCBGYKO-UHFFFAOYSA-N
XLogP0.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-chloroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920993
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987884
ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
CID 132577655
ethyl 8-methyl-7-oxo-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate
CID 14460551
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82874465

Frequently Asked Questions

What is the IUPAC name of ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 76849789) is ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate is CCOC(=O)c1ncn2cc[nH]c(=O)c12.
What is the InChIKey of ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is ZBSXWXNJCBGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-15-9(14)6-7-8(13)10-3-4-12(7)5-11-6/h3-5H,2H2,1H3,(H,10,13).
What are the key properties of ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate?
ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 76849789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).