4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione

C17H14N2O3 — CID 22425284

IUPAC4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(-c2ccc(OCc3ccccc3)cc2)c1=O
InChIInChI=1S/C17H14N2O3/c20-16-17(21)19(11-10-18-16)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,20)
InChIKeyXAWSGCKOMGZUCQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.10
Rot. Bonds4

About 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione

4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione (PubChem CID 22425284) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione
PubChem CID22425284
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(-c2ccc(OCc3ccccc3)cc2)c1=O
InChIInChI=1S/C17H14N2O3/c20-16-17(21)19(11-10-18-16)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,20)
InChIKeyXAWSGCKOMGZUCQ-UHFFFAOYSA-N
XLogP2.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione (CID 22425284) is 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione is O=c1[nH]ccn(-c2ccc(OCc3ccccc3)cc2)c1=O.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione?
The InChIKey is XAWSGCKOMGZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16-17(21)19(11-10-18-16)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,18,20).
What are the key properties of 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione?
4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione has a molecular weight of 294.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 22425284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).