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

C9H13N3O2 — CID 130571182

IUPAC2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
SMILESCc1nccn(CC(C)C(N)=O)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(8(10)13)5-12-4-3-11-7(2)9(12)14/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyWDGYDNUNTXGLHG-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.33
Rot. Bonds3

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

2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide (PubChem CID 130571182) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
PubChem CID130571182
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
SMILESCc1nccn(CC(C)C(N)=O)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(8(10)13)5-12-4-3-11-7(2)9(12)14/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyWDGYDNUNTXGLHG-UHFFFAOYSA-N
XLogP-0.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
The IUPAC name of 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide (CID 130571182) is 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
The canonical SMILES for 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide is Cc1nccn(CC(C)C(N)=O)c1=O.
What is the InChIKey of 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
The InChIKey is WDGYDNUNTXGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(8(10)13)5-12-4-3-11-7(2)9(12)14/h3-4,6H,5H2,1-2H3,(H2,10,13).
What are the key properties of 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide is sourced from PubChem (CID 130571182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).