5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine

C21H16N6 — CID 5339826

IUPAC5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine
SMILESC(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1cccnc1
InChIInChI=1S/C21H16N6/c1-3-9-17(10-4-1)19-20(18-11-5-2-6-12-18)25-27-21(24-19)26-23-15-16-8-7-13-22-14-16/h1-15H,(H,24,26,27)/b23-15+
InChIKeyNWPRLTNIXGAWLS-HZHRSRAPSA-N
MW352.40 g/mol
LogP4.05
Rot. Bonds5

About 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine

5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine (PubChem CID 5339826) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine
PubChem CID5339826
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine
SMILESC(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1cccnc1
InChIInChI=1S/C21H16N6/c1-3-9-17(10-4-1)19-20(18-11-5-2-6-12-18)25-27-21(24-19)26-23-15-16-8-7-13-22-14-16/h1-15H,(H,24,26,27)/b23-15+
InChIKeyNWPRLTNIXGAWLS-HZHRSRAPSA-N
XLogP4.05
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Tt-301
CID 54576073
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
4-phenyl-N~1~-[(1E)-phenylmethylene]-1H-imidazole-1,2-diamine
CID 6858937
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 46742353
N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419386
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
6-(2,6-Dimethylpyridin-4-Yl)-5-Phenyl-1,2,4-Triazin-3-Amine
CID 56844240
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine (CID 5339826) is 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine is C(=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)\c1cccnc1.
What is the InChIKey of 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine?
The InChIKey is NWPRLTNIXGAWLS-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H16N6/c1-3-9-17(10-4-1)19-20(18-11-5-2-6-12-18)25-27-21(24-19)26-23-15-16-8-7-13-22-14-16/h1-15H,(H,24,26,27)/b23-15+.
What are the key properties of 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine?
5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine has a molecular weight of 352.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine is sourced from PubChem (CID 5339826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).