1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one

C13H15N3O — CID 62938866

IUPAC1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccccc1CNc1nccn(C)c1=O
InChIInChI=1S/C13H15N3O/c1-10-5-3-4-6-11(10)9-15-12-13(17)16(2)8-7-14-12/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyPLWPZGPLODAZDE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.70
Rot. Bonds3

About 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one

1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one (PubChem CID 62938866) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
PubChem CID62938866
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccccc1CNc1nccn(C)c1=O
InChIInChI=1S/C13H15N3O/c1-10-5-3-4-6-11(10)9-15-12-13(17)16(2)8-7-14-12/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyPLWPZGPLODAZDE-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one (CID 62938866) is 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one is Cc1ccccc1CNc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
The InChIKey is PLWPZGPLODAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-5-3-4-6-11(10)9-15-12-13(17)16(2)8-7-14-12/h3-8H,9H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one?
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62938866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).