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

C15H10ClN3O — CID 156780107

IUPAC4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H10ClN3O/c16-12-8-4-7-11(9-12)14-17-13(18-15(20)19-14)10-5-2-1-3-6-10/h1-9H,(H,17,18,19,20)
InChIKeyABQWNEFXYHOXNN-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.15
Rot. Bonds2

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

4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one (PubChem CID 156780107) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one
PubChem CID156780107
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H10ClN3O/c16-12-8-4-7-11(9-12)14-17-13(18-15(20)19-14)10-5-2-1-3-6-10/h1-9H,(H,17,18,19,20)
InChIKeyABQWNEFXYHOXNN-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.15
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-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol
CID 2818535
3-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706430
4-(4-Chlorophenyl)-6-thioxo-1,2,5,6-tetrahydro-1,3,5-triazin-2-one
CID 2818532
N-(3-Chloro-benzyl)-benzamidine
CID 20706464
AC1L1U23
CID 135472997
s-Triazine-2,4-diol, 6-(2,5-dichlorophenyl)-
CID 161659
6-(4-chlorophenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
CID 2818533
3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-ol
CID 136160146
4,6-Bis(4-methylphenyl)-1,3,5-triazin-2(1H)-one
CID 135402212
s-Triazin-2-ol, 4-amino-6-(2,5-dichlorophenyl)-
CID 135554432

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one (CID 156780107) is 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one is O=c1nc(-c2cccc(Cl)c2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one?
The InChIKey is ABQWNEFXYHOXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-8-4-7-11(9-12)14-17-13(18-15(20)19-14)10-5-2-1-3-6-10/h1-9H,(H,17,18,19,20).
What are the key properties of 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one?
4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one has a molecular weight of 283.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-phenyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 156780107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).