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

C8H11N3O2 — CID 130571166

IUPAC3-(3-methyl-2-oxopyrazin-1-yl)propanamide
SMILESCc1nccn(CCC(N)=O)c1=O
InChIInChI=1S/C8H11N3O2/c1-6-8(13)11(5-3-10-6)4-2-7(9)12/h3,5H,2,4H2,1H3,(H2,9,12)
InChIKeyDEBOPPBSRNTZLH-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.57
Rot. Bonds3

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

3-(3-methyl-2-oxopyrazin-1-yl)propanamide (PubChem CID 130571166) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(3-methyl-2-oxopyrazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxopyrazin-1-yl)propanamide
PubChem CID130571166
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-(3-methyl-2-oxopyrazin-1-yl)propanamide
SMILESCc1nccn(CCC(N)=O)c1=O
InChIInChI=1S/C8H11N3O2/c1-6-8(13)11(5-3-10-6)4-2-7(9)12/h3,5H,2,4H2,1H3,(H2,9,12)
InChIKeyDEBOPPBSRNTZLH-UHFFFAOYSA-N
XLogP-0.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxopyrazin-1-yl)propanamide (CID 130571166) is 3-(3-methyl-2-oxopyrazin-1-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxopyrazin-1-yl)propanamide is Cc1nccn(CCC(N)=O)c1=O.
What is the InChIKey of 3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
The InChIKey is DEBOPPBSRNTZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-8(13)11(5-3-10-6)4-2-7(9)12/h3,5H,2,4H2,1H3,(H2,9,12).
What are the key properties of 3-(3-methyl-2-oxopyrazin-1-yl)propanamide?
3-(3-methyl-2-oxopyrazin-1-yl)propanamide has a molecular weight of 181.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxopyrazin-1-yl)propanamide is sourced from PubChem (CID 130571166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).