5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one

C12H13N3O2 — CID 155560434

IUPAC5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one
SMILESCC1=NCC(=O)N/C1=N\c1cc(C)ccc1O
InChIInChI=1S/C12H13N3O2/c1-7-3-4-10(16)9(5-7)14-12-8(2)13-6-11(17)15-12/h3-5,16H,6H2,1-2H3,(H,14,15,17)
InChIKeyHLIPGYGNZBVSIY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.32
Rot. Bonds1

About 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one

5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one (PubChem CID 155560434) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one
PubChem CID155560434
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one
SMILESCC1=NCC(=O)N/C1=N\c1cc(C)ccc1O
InChIInChI=1S/C12H13N3O2/c1-7-3-4-10(16)9(5-7)14-12-8(2)13-6-11(17)15-12/h3-5,16H,6H2,1-2H3,(H,14,15,17)
InChIKeyHLIPGYGNZBVSIY-UHFFFAOYSA-N
XLogP1.32
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one?
The IUPAC name of 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one (CID 155560434) is 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one.
What is the SMILES notation for 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one?
The canonical SMILES for 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one is CC1=NCC(=O)N/C1=N\c1cc(C)ccc1O.
What is the InChIKey of 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one?
The InChIKey is HLIPGYGNZBVSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-3-4-10(16)9(5-7)14-12-8(2)13-6-11(17)15-12/h3-5,16H,6H2,1-2H3,(H,14,15,17).
What are the key properties of 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one?
5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one has a molecular weight of 231.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylphenyl)imino-6-methyl-2H-pyrazin-3-one is sourced from PubChem (CID 155560434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).