4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole

C10H5F6N3 — CID 13155823

IUPAC4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nnc(C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C10H5F6N3/c11-9(12,13)7-17-18-8(10(14,15)16)19(7)6-4-2-1-3-5-6/h1-5H
InChIKeyBRUHCIDPGDRUGC-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.30
Rot. Bonds1

About 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole

4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole (PubChem CID 13155823) has the molecular formula C10H5F6N3 and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
PubChem CID13155823
Molecular FormulaC10H5F6N3
Molecular Weight281.16 g/mol
Exact Mass281.04
IUPAC Name4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nnc(C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C10H5F6N3/c11-9(12,13)7-17-18-8(10(14,15)16)19(7)6-4-2-1-3-5-6/h1-5H
InChIKeyBRUHCIDPGDRUGC-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
5-(Heptafluoropropyl)-1-phenyl-1h-tetrazole
CID 283412
3,5-Dimethyl-4-phenyl-1,2,4-triazole
CID 12216888
2-(4-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
CID 4613256
3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine
CID 11629673
3-(2-Methylpropyl)-4-phenyl-1,2,4-triazole
CID 115393287
4-(4-Fluorophenyl)-3-methyl-1,2,4-triazole
CID 137653706
3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-4H-1,2,4-triazole
CID 39869672
5-bromo-3-methyl-1-phenyl-1H-1,2,4-triazole
CID 12217066
5-chloro-3-methyl-1-phenyl-1H-1,2,4-triazole
CID 13714259
3-chloro-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 19014022
3-cyclopropyl-4-phenyl-4H-1,2,4-triazole
CID 115393482

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole (CID 13155823) is 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole is FC(F)(F)c1nnc(C(F)(F)F)n1-c1ccccc1.
What is the InChIKey of 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole?
The InChIKey is BRUHCIDPGDRUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N3/c11-9(12,13)7-17-18-8(10(14,15)16)19(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole?
4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole has a molecular weight of 281.16 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,5-bis(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 13155823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).