1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole

C22H19N3O — CID 42646848

IUPAC1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)n2cncn2)cc1
InChIInChI=1S/C22H19N3O/c1-26-21-14-12-20(13-15-21)22(25-17-23-16-24-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17H,1H3
InChIKeyJHXLYXVBHOVBLK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.13
Rot. Bonds5

About 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole

1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole (PubChem CID 42646848) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole
PubChem CID42646848
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)n2cncn2)cc1
InChIInChI=1S/C22H19N3O/c1-26-21-14-12-20(13-15-21)22(25-17-23-16-24-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17H,1H3
InChIKeyJHXLYXVBHOVBLK-UHFFFAOYSA-N
XLogP4.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole?
The IUPAC name of 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole (CID 42646848) is 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole?
The canonical SMILES for 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole is COc1ccc(C(c2ccccc2)(c2ccccc2)n2cncn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole?
The InChIKey is JHXLYXVBHOVBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-21-14-12-20(13-15-21)22(25-17-23-16-24-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17H,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole?
1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole has a molecular weight of 341.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-diphenylmethyl]-1,2,4-triazole is sourced from PubChem (CID 42646848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).