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

C16H13N3O — CID 137286130

IUPAC6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C16H13N3O/c1-11-7-9-13(10-8-11)15-17-14(18-16(20)19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)
InChIKeyHINJOUFFOSHBLG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.81
Rot. Bonds2

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

6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one (PubChem CID 137286130) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
PubChem CID137286130
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C16H13N3O/c1-11-7-9-13(10-8-11)15-17-14(18-16(20)19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)
InChIKeyHINJOUFFOSHBLG-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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Related Compounds

1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
CID 135427225
4-Amino-6-phenyl-s-triazine-2-ol
CID 135408760
4,6-Diphenylpyrimidin-2-ol
CID 619028
4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-ol
CID 15961
AC1Mdxvq
CID 2818525
3-(4-Methylphenyl)-5-oxo-4,5-dihydro-1,2,4-thiadiazole
CID 135697429
6-(4-methylphenyl)-4-sulfanylidene-1H-1,3,5-triazin-2-one
CID 12582389
1-Benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
CID 155560175
4-Phenyl-6-p-tolyl-pyrimidin-2-ol
CID 621547
4,6-Bis(4-methylphenyl)-1,3,5-triazin-2(1H)-one
CID 135402212
6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
CID 24036
4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136740726

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one (CID 137286130) is 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one is Cc1ccc(-c2nc(-c3ccccc3)nc(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one?
The InChIKey is HINJOUFFOSHBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-7-9-13(10-8-11)15-17-14(18-16(20)19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20).
What are the key properties of 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one?
6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-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 6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 137286130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).