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

C21H16FN3 — CID 139239898

IUPAC1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
SMILESFc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C21H16FN3/c22-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)23-24-25(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeySYRROBNWCQGAOA-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.80
Rot. Bonds4

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

1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole (PubChem CID 139239898) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
PubChem CID139239898
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
SMILESFc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C21H16FN3/c22-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)23-24-25(21)15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeySYRROBNWCQGAOA-UHFFFAOYSA-N
XLogP4.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(4-fluorophenyl)triazole-4-carbonitrile
CID 11594304
1-[(4-fluorophenyl)methyl]-5-phenyltriazole-4-carbaldehyde
CID 82203519
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946
(4,5-diphenyltriazol-1-yl)methanol
CID 174976406
1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
CID 162646932
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
1-benzyl-5-chloro-4-(4-methylphenyl)triazole
CID 72701212
benzyl 2-(4,5-diphenyltriazol-1-yl)acetate
CID 59363132
4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
CID 76903221
5-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211795
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole (CID 139239898) is 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole is Fc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole?
The InChIKey is SYRROBNWCQGAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c22-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)23-24-25(21)15-16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of 1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole?
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole has a molecular weight of 329.38 g/mol, XLogP of 4.80, 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-fluorophenyl)-4-phenyltriazole is sourced from PubChem (CID 139239898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).