N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide

C26H22N8O2 — CID 118529738

IUPACN-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4NC(C)=O)n3)c2)n[nH]1
InChIInChI=1S/C26H22N8O2/c1-15(35)27-21-12-5-3-10-19(21)25-29-23(31-33-25)17-8-7-9-18(14-17)24-30-26(34-32-24)20-11-4-6-13-22(20)28-16(2)36/h3-14H,1-2H3,(H,27,35)(H,28,36)(H,29,31,33)(H,30,32,34)
InChIKeyRYQAYGWXJKSPPU-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.51
Rot. Bonds6

About N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide

N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide (PubChem CID 118529738) has the molecular formula C26H22N8O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
PubChem CID118529738
Molecular FormulaC26H22N8O2
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC NameN-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4NC(C)=O)n3)c2)n[nH]1
InChIInChI=1S/C26H22N8O2/c1-15(35)27-21-12-5-3-10-19(21)25-29-23(31-33-25)17-8-7-9-18(14-17)24-30-26(34-32-24)20-11-4-6-13-22(20)28-16(2)36/h3-14H,1-2H3,(H,27,35)(H,28,36)(H,29,31,33)(H,30,32,34)
InChIKeyRYQAYGWXJKSPPU-UHFFFAOYSA-N
XLogP4.51
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56684744
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
(2S,4S)-2-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-4-carboxamide
CID 120623836
3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
CID 55833867
N-[2-oxo-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)anilino]ethyl]-2-phenylacetamide
CID 55990783
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
CID 55991423
2-(2-fluorophenoxy)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 55990529
5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55990155
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 86820912
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 55990916
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119295911

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide (CID 118529738) is N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4NC(C)=O)n3)c2)n[nH]1.
What is the InChIKey of N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide?
The InChIKey is RYQAYGWXJKSPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2/c1-15(35)27-21-12-5-3-10-19(21)25-29-23(31-33-25)17-8-7-9-18(14-17)24-30-26(34-32-24)20-11-4-6-13-22(20)28-16(2)36/h3-14H,1-2H3,(H,27,35)(H,28,36)(H,29,31,33)(H,30,32,34).
What are the key properties of N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide?
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide has a molecular weight of 478.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 118529738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).