3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one

C17H14N2O — CID 70148020

IUPAC3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O/c20-17-16(18-10-11-19-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20)
InChIKeyUQXKQTRJEWRUSX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.03
Rot. Bonds3

About 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one

3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one (PubChem CID 70148020) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one
PubChem CID70148020
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O/c20-17-16(18-10-11-19-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20)
InChIKeyUQXKQTRJEWRUSX-UHFFFAOYSA-N
XLogP3.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one (CID 70148020) is 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one?
The InChIKey is UQXKQTRJEWRUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-16(18-10-11-19-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20).
What are the key properties of 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one?
3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 70148020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).