(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one

C25H20N6O2 — CID 135693113

IUPAC(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one
SMILESC/C(=N/N=C1\C(=O)Nc2ccccc21)C1=NC(c2ccccc2)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C25H20N6O2/c1-16(28-29-22-19-14-8-9-15-20(19)26-24(22)32)23-27-21(17-10-4-2-5-11-17)25(33)31(30-23)18-12-6-3-7-13-18/h2-15,21H,1H3,(H,27,30)(H,26,29,32)/b28-16-
InChIKeyFRVVLKCXXOUUDT-NTFVMDSBSA-N
MW436.48 g/mol
LogP3.49
Rot. Bonds4

About (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135693113) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135693113
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one
SMILESC/C(=N/N=C1\C(=O)Nc2ccccc21)C1=NC(c2ccccc2)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C25H20N6O2/c1-16(28-29-22-19-14-8-9-15-20(19)26-24(22)32)23-27-21(17-10-4-2-5-11-17)25(33)31(30-23)18-12-6-3-7-13-18/h2-15,21H,1H3,(H,27,30)(H,26,29,32)/b28-16-
InChIKeyFRVVLKCXXOUUDT-NTFVMDSBSA-N
XLogP3.49
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'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 (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one (CID 135693113) is (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one is C/C(=N/N=C1\C(=O)Nc2ccccc21)C1=NC(c2ccccc2)C(=O)N(c2ccccc2)N1.
What is the InChIKey of (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is FRVVLKCXXOUUDT-NTFVMDSBSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16(28-29-22-19-14-8-9-15-20(19)26-24(22)32)23-27-21(17-10-4-2-5-11-17)25(33)31(30-23)18-12-6-3-7-13-18/h2-15,21H,1H3,(H,27,30)(H,26,29,32)/b28-16-.
What are the key properties of (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 436.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135693113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).