1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole

C15H14FN3 — CID 123979130

IUPAC1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole
SMILESFc1ccc(C2CN(Cc3ccccc3)N=N2)cc1
InChIInChI=1S/C15H14FN3/c16-14-8-6-13(7-9-14)15-11-19(18-17-15)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyIIZBWSFONZOPNM-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.75
Rot. Bonds3

About 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole

1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole (PubChem CID 123979130) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole
PubChem CID123979130
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole
SMILESFc1ccc(C2CN(Cc3ccccc3)N=N2)cc1
InChIInChI=1S/C15H14FN3/c16-14-8-6-13(7-9-14)15-11-19(18-17-15)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyIIZBWSFONZOPNM-UHFFFAOYSA-N
XLogP3.75
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
CID 22320564
CID 174108729
CID 174108729
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
3-benzyl-2-(4-fluorophenyl)-1-azabicyclo[4.1.0]heptane
CID 172803819
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67131561
(3S,4R)-1-benzyl-3-(4-fluorophenyl)-4-nitropyrrolidine
CID 10447515
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
CID 53243818

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole (CID 123979130) is 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole is Fc1ccc(C2CN(Cc3ccccc3)N=N2)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole?
The InChIKey is IIZBWSFONZOPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-14-8-6-13(7-9-14)15-11-19(18-17-15)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole?
1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole has a molecular weight of 255.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole is sourced from PubChem (CID 123979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).