5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole

C18H16FN3O — CID 146512227

IUPAC5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESFC1(c2nc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)CC1
InChIInChI=1S/C18H16FN3O/c19-18(10-11-18)17-20-16(21-22-17)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21,22)
InChIKeyUSWYMOBBXTVCAE-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.01
Rot. Bonds5

About 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole

5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole (PubChem CID 146512227) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
PubChem CID146512227
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESFC1(c2nc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)CC1
InChIInChI=1S/C18H16FN3O/c19-18(10-11-18)17-20-16(21-22-17)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21,22)
InChIKeyUSWYMOBBXTVCAE-UHFFFAOYSA-N
XLogP4.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
1-ethyl-5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1,2,4-triazole
CID 146512265
5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 153483601
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 6464068
4-benzyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 1388410
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole (CID 146512227) is 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole is FC1(c2nc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)CC1.
What is the InChIKey of 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is USWYMOBBXTVCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-18(10-11-18)17-20-16(21-22-17)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21,22).
What are the key properties of 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole?
5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 309.34 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 146512227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).