6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide

C8H11N3O2 — CID 11423936

IUPAC6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(N)=O)nc1C
InChIInChI=1S/C8H11N3O2/c1-3-5-4(2)10-6(7(9)12)8(13)11-5/h3H2,1-2H3,(H2,9,12)(H,11,13)
InChIKeyISOTXZWOLQMYFY-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.26
Rot. Bonds2

About 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide

6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 11423936) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID11423936
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(N)=O)nc1C
InChIInChI=1S/C8H11N3O2/c1-3-5-4(2)10-6(7(9)12)8(13)11-5/h3H2,1-2H3,(H2,9,12)(H,11,13)
InChIKeyISOTXZWOLQMYFY-UHFFFAOYSA-N
XLogP-0.26
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide (CID 11423936) is 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide is CCc1[nH]c(=O)c(C(N)=O)nc1C.
What is the InChIKey of 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is ISOTXZWOLQMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-5-4(2)10-6(7(9)12)8(13)11-5/h3H2,1-2H3,(H2,9,12)(H,11,13).
What are the key properties of 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide?
6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 11423936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).