1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea

C18H16N4O2 — CID 53118327

IUPAC1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)c1
InChIInChI=1S/C18H16N4O2/c1-13-6-5-7-14(12-13)20-18(24)21-16-17(23)22(11-10-19-16)15-8-3-2-4-9-15/h2-12H,1H3,(H2,19,20,21,24)
InChIKeyJZYVTRSJAUDIKU-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea

1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea (PubChem CID 53118327) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
PubChem CID53118327
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)c1
InChIInChI=1S/C18H16N4O2/c1-13-6-5-7-14(12-13)20-18(24)21-16-17(23)22(11-10-19-16)15-8-3-2-4-9-15/h2-12H,1H3,(H2,19,20,21,24)
InChIKeyJZYVTRSJAUDIKU-UHFFFAOYSA-N
XLogP3.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea (CID 53118327) is 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea is Cc1cccc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The InChIKey is JZYVTRSJAUDIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-6-5-7-14(12-13)20-18(24)21-16-17(23)22(11-10-19-16)15-8-3-2-4-9-15/h2-12H,1H3,(H2,19,20,21,24).
What are the key properties of 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea has a molecular weight of 320.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea is sourced from PubChem (CID 53118327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).