5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one

C16H13N3O — CID 67429682

IUPAC5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one
SMILESCc1cccc(-c2nc(=O)[nH]nc2-c2ccccc2)c1
InChIInChI=1S/C16H13N3O/c1-11-6-5-9-13(10-11)14-15(18-19-16(20)17-14)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19,20)
InChIKeyGLWOWSVSKCHYSR-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.81
Rot. Bonds2

About 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one

5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one (PubChem CID 67429682) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one
PubChem CID67429682
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one
SMILESCc1cccc(-c2nc(=O)[nH]nc2-c2ccccc2)c1
InChIInChI=1S/C16H13N3O/c1-11-6-5-9-13(10-11)14-15(18-19-16(20)17-14)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19,20)
InChIKeyGLWOWSVSKCHYSR-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one (CID 67429682) is 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one is Cc1cccc(-c2nc(=O)[nH]nc2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one?
The InChIKey is GLWOWSVSKCHYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-5-9-13(10-11)14-15(18-19-16(20)17-14)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one?
5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-6-phenyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 67429682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).