C1=CC(=CC=C1CC2=NC=NN2)C#N
الاسم: 4-(1H-1,2,4-triazol-5-ylmethyl)benzonitrile
SMILES: C1=CC(=CC=C1CC2=NC=NN2)C#N

Molecular Processing

Molecular formula
C10H8N4
Molecular weight
184.2
Exact mass
184.0749
XLogP
1.27
TPSA
65.36
H-bond donors
1
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
50.35

Supplementary Information

InChIKey: KEEIWFHXOMZEJL-UHFFFAOYSA-N
مرادفات
4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrileBenzonitrile,4-(1H-1,2,4-triazol-1-ylmethyl)-4-[1-(1,2,4-Triazolyl)methyl]benzonitrile4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile4-[(1H-1,2,4-Triazol-3-yl)methyl]benzonitrileSCHEMBL690187SCHEMBL690958DTXSID50920906KEEIWFHXOMZEJL-UHFFFAOYSA-NAKOS015998622DB-0248254-(1H-1,2,4-triazol-5-ylmethyl)benzonitrile4-[1-(1,2,4-triazolyl)-methyl]benzonitrile4-[1-(1,2,4-triazolyl)methyl]-benzonitrile4-[1-(1,2,4-triazolyl) methyl] benzonitrile
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