1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone

C23H19N3O2 — CID 4562650

IUPAC1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
SMILESCOc1ccc(-c2nc(-c3ccccc3C(C)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N3O2/c1-16(27)20-10-6-7-11-21(20)23-24-22(17-12-14-19(28-2)15-13-17)25-26(23)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyDETHQZCVWCWHNM-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.81
Rot. Bonds5

About 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone

1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone (PubChem CID 4562650) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
PubChem CID4562650
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
SMILESCOc1ccc(-c2nc(-c3ccccc3C(C)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N3O2/c1-16(27)20-10-6-7-11-21(20)23-24-22(17-12-14-19(28-2)15-13-17)25-26(23)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyDETHQZCVWCWHNM-UHFFFAOYSA-N
XLogP4.81
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole
CID 138006139
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 71377669
[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone
CID 753286
5-acetyl-2-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82170327
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone
CID 157323654
3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide
CID 3431104

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone (CID 4562650) is 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone is COc1ccc(-c2nc(-c3ccccc3C(C)=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone?
The InChIKey is DETHQZCVWCWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(27)20-10-6-7-11-21(20)23-24-22(17-12-14-19(28-2)15-13-17)25-26(23)18-8-4-3-5-9-18/h3-15H,1-2H3.
What are the key properties of 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone?
1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone has a molecular weight of 369.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone is sourced from PubChem (CID 4562650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).