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

C23H19N5 — CID 5333742

IUPAC5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine
SMILESC/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H19N5/c1-17(18-11-5-2-6-12-18)25-27-23-24-21(19-13-7-3-8-14-19)22(26-28-23)20-15-9-4-10-16-20/h2-16H,1H3,(H,24,27,28)/b25-17+
InChIKeyWEMTZIPIMSSTJY-KOEQRZSOSA-N
MW365.44 g/mol
LogP5.04
Rot. Bonds5

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

5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine (PubChem CID 5333742) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine
PubChem CID5333742
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine
SMILESC/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H19N5/c1-17(18-11-5-2-6-12-18)25-27-23-24-21(19-13-7-3-8-14-19)22(26-28-23)20-15-9-4-10-16-20/h2-16H,1H3,(H,24,27,28)/b25-17+
InChIKeyWEMTZIPIMSSTJY-KOEQRZSOSA-N
XLogP5.04
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine (CID 5333742) is 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine is C/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine?
The InChIKey is WEMTZIPIMSSTJY-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H19N5/c1-17(18-11-5-2-6-12-18)25-27-23-24-21(19-13-7-3-8-14-19)22(26-28-23)20-15-9-4-10-16-20/h2-16H,1H3,(H,24,27,28)/b25-17+.
What are the key properties of 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine?
5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine has a molecular weight of 365.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine is sourced from PubChem (CID 5333742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).