3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one

C8H11N3O2 — CID 22893019

IUPAC3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one
SMILESCC(=O)Cn1c(C)cnc(N)c1=O
InChIInChI=1S/C8H11N3O2/c1-5-3-10-7(9)8(13)11(5)4-6(2)12/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyMPJCHIAMVPBEDG-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.28
Rot. Bonds2

About 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one

3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one (PubChem CID 22893019) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one
PubChem CID22893019
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one
SMILESCC(=O)Cn1c(C)cnc(N)c1=O
InChIInChI=1S/C8H11N3O2/c1-5-3-10-7(9)8(13)11(5)4-6(2)12/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyMPJCHIAMVPBEDG-UHFFFAOYSA-N
XLogP-0.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
The IUPAC name of 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one (CID 22893019) is 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one.
What is the SMILES notation for 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
The canonical SMILES for 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one is CC(=O)Cn1c(C)cnc(N)c1=O.
What is the InChIKey of 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
The InChIKey is MPJCHIAMVPBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-3-10-7(9)8(13)11(5)4-6(2)12/h3H,4H2,1-2H3,(H2,9,10).
What are the key properties of 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one?
3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one has a molecular weight of 181.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-(2-oxopropyl)pyrazin-2-one is sourced from PubChem (CID 22893019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).