methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate

C6H8N2O3 — CID 163244106

IUPACmethyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
SMILESCOC(=O)C1=CNCC(=O)N1
InChIInChI=1S/C6H8N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h2,7H,3H2,1H3,(H,8,9)
InChIKeyGNBYWQYHLQKOIZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.28
Rot. Bonds1

About methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate

methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate (PubChem CID 163244106) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
PubChem CID163244106
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Namemethyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate
SMILESCOC(=O)C1=CNCC(=O)N1
InChIInChI=1S/C6H8N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h2,7H,3H2,1H3,(H,8,9)
InChIKeyGNBYWQYHLQKOIZ-UHFFFAOYSA-N
XLogP-1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
The IUPAC name of methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate (CID 163244106) is methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate.
What is the SMILES notation for methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
The canonical SMILES for methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate is COC(=O)C1=CNCC(=O)N1.
What is the InChIKey of methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
The InChIKey is GNBYWQYHLQKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h2,7H,3H2,1H3,(H,8,9).
What are the key properties of methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate?
methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate has a molecular weight of 156.14 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2,4-dihydro-1H-pyrazine-5-carboxylate is sourced from PubChem (CID 163244106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).