CC1=NN(C=N1)C2=CC=C(C=C2)N
CAS: 52739-51-2
Name: 4-(3-methyl-1,2,4-triazol-1-yl)aniline
SMILES: CC1=NN(C=N1)C2=CC=C(C=C2)N

Molecular Processing

Molecular formula
C9H10N4
Molecular weight
174.21
Exact mass
174.0905
XLogP
1.16
TPSA
56.73
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
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
0.111
Molar refractivity
50.51

Supplementary Information

InChIKey: HBAFPUYFVWSDCO-UHFFFAOYSA-N
Synonyms
52739-51-24-(3-Methyl-1H-1,2,4-triazol-1-yl)aniline1-(4-AMINO-PHENYL)-3-METHYL-1,2,4-TRIAZOLE4-(3-methyl-1,2,4-triazol-1-yl)anilineMFCD15525416SCHEMBL719952DTXSID60659730HBAFPUYFVWSDCO-UHFFFAOYSA-NAKOS022817732AS-35460CS-0172196F301037
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Involved in 8 reactions→

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