N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide

C25H22N6O4 — CID 24540560

IUPACN-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H22N6O4/c32-21(16-26-22(33)17-35-20-14-8-3-9-15-20)28-29-25(34)23-27-24(18-10-4-1-5-11-18)31(30-23)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,33)(H,28,32)(H,29,34)
InChIKeyFHFPINWFSWAXKD-UHFFFAOYSA-N
MW470.49 g/mol
LogP1.89
Rot. Bonds8

About N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide

N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 24540560) has the molecular formula C25H22N6O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
PubChem CID24540560
Molecular FormulaC25H22N6O4
Molecular Weight470.49 g/mol
Exact Mass470.17
IUPAC NameN-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H22N6O4/c32-21(16-26-22(33)17-35-20-14-8-3-9-15-20)28-29-25(34)23-27-24(18-10-4-1-5-11-18)31(30-23)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,33)(H,28,32)(H,29,34)
InChIKeyFHFPINWFSWAXKD-UHFFFAOYSA-N
XLogP1.89
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779481
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 39710711
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 31127005
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
CID 55666200
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 42981397
N-[2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540815
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 34655162

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide (CID 24540560) is N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is FHFPINWFSWAXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4/c32-21(16-26-22(33)17-35-20-14-8-3-9-15-20)28-29-25(34)23-27-24(18-10-4-1-5-11-18)31(30-23)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,33)(H,28,32)(H,29,34).
What are the key properties of N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 470.49 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 24540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).