5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole

C14H10FN3 — CID 175871608

IUPAC5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole
SMILESFc1cccc(-c2ccc(-c3ncn[nH]3)cc2)c1
InChIInChI=1S/C14H10FN3/c15-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-16-9-17-18-14/h1-9H,(H,16,17,18)
InChIKeyBGNKZKIXUWPRHU-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.28
Rot. Bonds2

About 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole

5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole (PubChem CID 175871608) has the molecular formula C14H10FN3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole
PubChem CID175871608
Molecular FormulaC14H10FN3
Molecular Weight239.25 g/mol
Exact Mass239.09
IUPAC Name5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole
SMILESFc1cccc(-c2ccc(-c3ncn[nH]3)cc2)c1
InChIInChI=1S/C14H10FN3/c15-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-16-9-17-18-14/h1-9H,(H,16,17,18)
InChIKeyBGNKZKIXUWPRHU-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
CID 175871586
2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine
CID 91801574
5-(3-tert-butylphenyl)-1H-1,2,4-triazole
CID 58412583
4,4-dimethyl-N-[[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]cyclohexan-1-amine
CID 58276644
5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 90945795
3-(1H-1,2,4-triazol-5-yl)benzaldehyde
CID 57474703
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)aniline
CID 97338569
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689
2-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056482
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole (CID 175871608) is 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole is Fc1cccc(-c2ccc(-c3ncn[nH]3)cc2)c1.
What is the InChIKey of 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is BGNKZKIXUWPRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3/c15-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-16-9-17-18-14/h1-9H,(H,16,17,18).
What are the key properties of 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole?
5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 239.25 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 175871608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).