3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine

C17H15N3O — CID 10802484

IUPAC3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine
SMILES[H]/N=c1/c(Cc2ccccc2)nc(-c2ccccc2)cn1O
InChIInChI=1S/C17H15N3O/c18-17-15(11-13-7-3-1-4-8-13)19-16(12-20(17)21)14-9-5-2-6-10-14/h1-10,12,18,21H,11H2/b18-17-
InChIKeyOMCOCOBSAZHPCG-ZCXUNETKSA-N
MW277.33 g/mol
LogP2.86
Rot. Bonds3

About 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine

3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine (PubChem CID 10802484) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine.

Molecular Properties

Compound Name3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine
PubChem CID10802484
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine
SMILES[H]/N=c1/c(Cc2ccccc2)nc(-c2ccccc2)cn1O
InChIInChI=1S/C17H15N3O/c18-17-15(11-13-7-3-1-4-8-13)19-16(12-20(17)21)14-9-5-2-6-10-14/h1-10,12,18,21H,11H2/b18-17-
InChIKeyOMCOCOBSAZHPCG-ZCXUNETKSA-N
XLogP2.86
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine?
The IUPAC name of 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine (CID 10802484) is 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine.
What is the SMILES notation for 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine?
The canonical SMILES for 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine is [H]/N=c1/c(Cc2ccccc2)nc(-c2ccccc2)cn1O.
What is the InChIKey of 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine?
The InChIKey is OMCOCOBSAZHPCG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17-15(11-13-7-3-1-4-8-13)19-16(12-20(17)21)14-9-5-2-6-10-14/h1-10,12,18,21H,11H2/b18-17-.
What are the key properties of 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine?
3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine has a molecular weight of 277.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hydroxy-5-phenylpyrazin-2-imine is sourced from PubChem (CID 10802484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).