5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole

C12H12F3N3 — CID 134105821

IUPAC5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
SMILESCC(C)c1cnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3/c1-8(2)11-7-16-17-18(11)10-5-3-4-9(6-10)12(13,14)15/h3-8H,1-2H3
InChIKeyLICFAEYRPKOISZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.41
Rot. Bonds2

About 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole

5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole (PubChem CID 134105821) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
PubChem CID134105821
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
SMILESCC(C)c1cnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3/c1-8(2)11-7-16-17-18(11)10-5-3-4-9(6-10)12(13,14)15/h3-8H,1-2H3
InChIKeyLICFAEYRPKOISZ-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167254
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452
5-chloro-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 63788601
2-[3-[4-(trifluoromethyl)phenyl]triazol-4-yl]propanoic acid
CID 117167409
5-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 94940294
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole (CID 134105821) is 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole is CC(C)c1cnnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole?
The InChIKey is LICFAEYRPKOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8(2)11-7-16-17-18(11)10-5-3-4-9(6-10)12(13,14)15/h3-8H,1-2H3.
What are the key properties of 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole?
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole has a molecular weight of 255.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 134105821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).