C1=CC(=CC=C1C2=NN(C=N2)C3=CC=C(C=C3)C(F)(F)F)N
Name: 4-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]aniline
SMILES: C1=CC(=CC=C1C2=NN(C=N2)C3=CC=C(C=C3)C(F)(F)F)N

Molecular Processing

Molecular formula
C15H11F3N4
Molecular weight
304.28
Exact mass
304.0936
XLogP
3.54
TPSA
56.73
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
76.21

Supplementary Information

InChIKey: JYTBGPUODIEVKB-UHFFFAOYSA-N
Synonyme
4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)anilineSCHEMBL14576537
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