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

C8H11N3O2 — CID 72956295

IUPAC6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide
SMILESCCC1=NC(C(N)=O)C(=O)N=C1C
InChIInChI=1S/C8H11N3O2/c1-3-5-4(2)10-8(13)6(11-5)7(9)12/h6H,3H2,1-2H3,(H2,9,12)
InChIKeyRJZDMRRSWILRND-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.31
Rot. Bonds2

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

6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide (PubChem CID 72956295) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide
PubChem CID72956295
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide
SMILESCCC1=NC(C(N)=O)C(=O)N=C1C
InChIInChI=1S/C8H11N3O2/c1-3-5-4(2)10-8(13)6(11-5)7(9)12/h6H,3H2,1-2H3,(H2,9,12)
InChIKeyRJZDMRRSWILRND-UHFFFAOYSA-N
XLogP-0.31
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide (CID 72956295) is 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide is CCC1=NC(C(N)=O)C(=O)N=C1C.
What is the InChIKey of 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide?
The InChIKey is RJZDMRRSWILRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-5-4(2)10-8(13)6(11-5)7(9)12/h6H,3H2,1-2H3,(H2,9,12).
What are the key properties of 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide?
6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 72956295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).