C1=CC(=CC=C1C#N)NN2C=NN=C2
CAS: 148869-66-3
Nombre: 4-(1,2,4-triazol-4-ylamino)benzonitrile
SMILES: C1=CC(=CC=C1C#N)NN2C=NN=C2

Molecular Processing

Molecular formula
C9H7N5
Molecular weight
185.19
Exact mass
185.0701
XLogP
1.02
TPSA
66.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
50.2

Supplementary Information

InChIKey: NIUQWMRVGIXTKZ-UHFFFAOYSA-N
Sinónimos
148869-66-34-[(4H-1,2,4-Triazol-4-yl)amino]benzonitrileBenzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-4-(1,2,4-triazol-4-ylamino)benzonitrileSCHEMBL2060160NIUQWMRVGIXTKZ-UHFFFAOYSA-NDTXSID1013655894-(4-cyanophenyl)amino-4H-1,2,4-triazole4-([1,2,4]triazol-4-ylamino)-benzonitrile4-[(4-cyanophenyl)amino]-4H-[1,2,4]triazole4-[(4-cyanophenyl)amino]-4H-1,2,4-triazole4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile4-[N-(4-cyanophenyl)amino]-4H-1,2,4-triazoleA1-06523
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