N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide

C22H16N4O — CID 23910989

IUPACN-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H16N4O/c27-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(25-26-22)17-12-6-2-7-13-17/h1-15H,(H,23,24,26,27)
InChIKeyACKIUEWDTSMUOL-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.46
Rot. Bonds4

About N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide

N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide (PubChem CID 23910989) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide
PubChem CID23910989
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC NameN-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H16N4O/c27-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(25-26-22)17-12-6-2-7-13-17/h1-15H,(H,23,24,26,27)
InChIKeyACKIUEWDTSMUOL-UHFFFAOYSA-N
XLogP4.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenylpyrimidin-2-yl)benzamide
CID 71415986
5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine
CID 5333742
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
N-pyrimidin-2-ylbenzamide
CID 638481
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)benzamide
CID 10135042
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]pentanedioic acid
CID 86161614
2,3-diphenyl-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 1034248
benzamide;5,6-diphenyltetrazine
CID 174808864
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide?
The IUPAC name of N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide (CID 23910989) is N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide?
The InChIKey is ACKIUEWDTSMUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-21(18-14-8-3-9-15-18)24-22-23-19(16-10-4-1-5-11-16)20(25-26-22)17-12-6-2-7-13-17/h1-15H,(H,23,24,26,27).
What are the key properties of N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide?
N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide has a molecular weight of 352.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 23910989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).