1-benzyl-3-phenyl-2H-pyrazin-4-ium

C17H17N2+ — CID 134851749

IUPAC1-benzyl-3-phenyl-2H-pyrazin-4-ium
SMILESC1=CN(Cc2ccccc2)CC(c2ccccc2)=[NH+]1
InChIInChI=1S/C17H16N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-12H,13-14H2/p+1
InChIKeyUAKGCPSTYOTMIA-UHFFFAOYSA-O
MW249.34 g/mol
LogP1.54
Rot. Bonds3

About 1-benzyl-3-phenyl-2H-pyrazin-4-ium

1-benzyl-3-phenyl-2H-pyrazin-4-ium (PubChem CID 134851749) has the molecular formula C17H17N2+ and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-2H-pyrazin-4-ium.

Molecular Properties

Compound Name1-benzyl-3-phenyl-2H-pyrazin-4-ium
PubChem CID134851749
Molecular FormulaC17H17N2+
Molecular Weight249.34 g/mol
Exact Mass249.14
IUPAC Name1-benzyl-3-phenyl-2H-pyrazin-4-ium
SMILESC1=CN(Cc2ccccc2)CC(c2ccccc2)=[NH+]1
InChIInChI=1S/C17H16N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-12H,13-14H2/p+1
InChIKeyUAKGCPSTYOTMIA-UHFFFAOYSA-O
XLogP1.54
TPSA17.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-2H-pyrazin-4-ium?
The IUPAC name of 1-benzyl-3-phenyl-2H-pyrazin-4-ium (CID 134851749) is 1-benzyl-3-phenyl-2H-pyrazin-4-ium.
What is the SMILES notation for 1-benzyl-3-phenyl-2H-pyrazin-4-ium?
The canonical SMILES for 1-benzyl-3-phenyl-2H-pyrazin-4-ium is C1=CN(Cc2ccccc2)CC(c2ccccc2)=[NH+]1.
What is the InChIKey of 1-benzyl-3-phenyl-2H-pyrazin-4-ium?
The InChIKey is UAKGCPSTYOTMIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-12H,13-14H2/p+1.
What are the key properties of 1-benzyl-3-phenyl-2H-pyrazin-4-ium?
1-benzyl-3-phenyl-2H-pyrazin-4-ium has a molecular weight of 249.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-2H-pyrazin-4-ium is sourced from PubChem (CID 134851749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).