2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide

C26H23N5O3 — CID 13141355

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N5O3/c1-18(19-13-15-22(33-2)16-14-19)28-29-23(32)17-34-26-27-24(20-9-5-3-6-10-20)25(30-31-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,29,32)/b28-18+
InChIKeyMRLIKIYJZDTQHA-MTDXEUNCSA-N
MW453.50 g/mol
LogP4.13
Rot. Bonds8

About 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 13141355) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID13141355
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N5O3/c1-18(19-13-15-22(33-2)16-14-19)28-29-23(32)17-34-26-27-24(20-9-5-3-6-10-20)25(30-31-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,29,32)/b28-18+
InChIKeyMRLIKIYJZDTQHA-MTDXEUNCSA-N
XLogP4.13
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 4251072
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide (CID 13141355) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N/NC(=O)COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is MRLIKIYJZDTQHA-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-18(19-13-15-22(33-2)16-14-19)28-29-23(32)17-34-26-27-24(20-9-5-3-6-10-20)25(30-31-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,29,32)/b28-18+.
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 13141355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).