1-benzyl-5-(4-methylphenyl)-4-phenyltriazole

C22H19N3 — CID 101442919

IUPAC1-benzyl-5-(4-methylphenyl)-4-phenyltriazole
SMILESCc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C22H19N3/c1-17-12-14-20(15-13-17)22-21(19-10-6-3-7-11-19)23-24-25(22)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyQFXILIUPCIBDLD-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.97
Rot. Bonds4

About 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole

1-benzyl-5-(4-methylphenyl)-4-phenyltriazole (PubChem CID 101442919) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-(4-methylphenyl)-4-phenyltriazole
PubChem CID101442919
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-benzyl-5-(4-methylphenyl)-4-phenyltriazole
SMILESCc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C22H19N3/c1-17-12-14-20(15-13-17)22-21(19-10-6-3-7-11-19)23-24-25(22)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyQFXILIUPCIBDLD-UHFFFAOYSA-N
XLogP4.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-[[4-(2,4-Difluorophenyl)phenyl]methyl]benzotriazole
CID 155549028
1-Benzyl-4-(4-methyl-5-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219156
1-Benzyl-4-(5-methyl-4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219167
1-Benzyl-4-phenyl-1,2,3-triazole
CID 11310894
1-(Naphthalen-2-ylmethyl)-4-(4-pentylphenyl)triazole
CID 24789340
N-[4-[4-(4-Biphenyl)triazol-1-yl]butyl]-N-propyl-N-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]amine
CID 25139329
1-Benzyl-3-[(4-tert-butylphenyl)methyl]-4-octyltriazol-1-ium bromide
CID 145985625
1-(2-Phenylethyl)-4-phenyl-1 h-1,2,3-triazole
CID 50852631
1-Benzyl-4-(4-methylphenyl)-1h-1,2,3-triazole
CID 57332736

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole (CID 101442919) is 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole is Cc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole?
The InChIKey is QFXILIUPCIBDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-17-12-14-20(15-13-17)22-21(19-10-6-3-7-11-19)23-24-25(22)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole?
1-benzyl-5-(4-methylphenyl)-4-phenyltriazole has a molecular weight of 325.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-methylphenyl)-4-phenyltriazole is sourced from PubChem (CID 101442919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).