1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole

C21H17N3 — CID 7429146

IUPAC1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole
SMILESc1ccc(-c2ccc([C@@H](c3ccccc3)n3cncn3)cc2)cc1
InChIInChI=1S/C21H17N3/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)21(24-16-22-15-23-24)19-9-5-2-6-10-19/h1-16,21H/t21-/m1/s1
InChIKeyVQDPKASHMXFMFC-OAQYLSRUSA-N
MW311.39 g/mol
LogP4.58
Rot. Bonds4

About 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole

1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole (PubChem CID 7429146) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole
PubChem CID7429146
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole
SMILESc1ccc(-c2ccc([C@@H](c3ccccc3)n3cncn3)cc2)cc1
InChIInChI=1S/C21H17N3/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)21(24-16-22-15-23-24)19-9-5-2-6-10-19/h1-16,21H/t21-/m1/s1
InChIKeyVQDPKASHMXFMFC-OAQYLSRUSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole (CID 7429146) is 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole is c1ccc(-c2ccc([C@@H](c3ccccc3)n3cncn3)cc2)cc1.
What is the InChIKey of 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole?
The InChIKey is VQDPKASHMXFMFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)21(24-16-22-15-23-24)19-9-5-2-6-10-19/h1-16,21H/t21-/m1/s1.
What are the key properties of 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole?
1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole has a molecular weight of 311.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 7429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).