2-methyl-3-(2-oxopyrazin-1-yl)propanamide

C8H11N3O2 — CID 130538578

IUPAC2-methyl-3-(2-oxopyrazin-1-yl)propanamide
SMILESCC(Cn1ccncc1=O)C(N)=O
InChIInChI=1S/C8H11N3O2/c1-6(8(9)13)5-11-3-2-10-4-7(11)12/h2-4,6H,5H2,1H3,(H2,9,13)
InChIKeyGHFWEQKCAZJSJA-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.64
Rot. Bonds3

About 2-methyl-3-(2-oxopyrazin-1-yl)propanamide

2-methyl-3-(2-oxopyrazin-1-yl)propanamide (PubChem CID 130538578) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-3-(2-oxopyrazin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(2-oxopyrazin-1-yl)propanamide
PubChem CID130538578
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-methyl-3-(2-oxopyrazin-1-yl)propanamide
SMILESCC(Cn1ccncc1=O)C(N)=O
InChIInChI=1S/C8H11N3O2/c1-6(8(9)13)5-11-3-2-10-4-7(11)12/h2-4,6H,5H2,1H3,(H2,9,13)
InChIKeyGHFWEQKCAZJSJA-UHFFFAOYSA-N
XLogP-0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylpropyl)pyrazin-2-one
CID 58125219
N-tert-butyl-4-methyl-3-oxopyrazine-2-carboxamide
CID 59531635
N-(2-methylpropyl)-2-oxo-1H-pyrazine-3-carboxamide
CID 123779164
4-Tert-butyl-3-oxopyrazine-2-carboxamide
CID 167386662
3-(3-Chloro-2-oxopyrazin-1-yl)-2-methylpropanamide
CID 114561801
1-(3-Amino-2-methylpropyl)pyrazin-2-one
CID 130538477
N-methyl-3-(2-oxopyrazin-1-yl)propanamide
CID 130538590
3-(3-Methyl-2-oxopyrazin-1-yl)propanamide
CID 130571166
2-Methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxopyrazin-1-yl)propanamide?
The IUPAC name of 2-methyl-3-(2-oxopyrazin-1-yl)propanamide (CID 130538578) is 2-methyl-3-(2-oxopyrazin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(2-oxopyrazin-1-yl)propanamide?
The canonical SMILES for 2-methyl-3-(2-oxopyrazin-1-yl)propanamide is CC(Cn1ccncc1=O)C(N)=O.
What is the InChIKey of 2-methyl-3-(2-oxopyrazin-1-yl)propanamide?
The InChIKey is GHFWEQKCAZJSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(8(9)13)5-11-3-2-10-4-7(11)12/h2-4,6H,5H2,1H3,(H2,9,13).
What are the key properties of 2-methyl-3-(2-oxopyrazin-1-yl)propanamide?
2-methyl-3-(2-oxopyrazin-1-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxopyrazin-1-yl)propanamide is sourced from PubChem (CID 130538578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).