Home Other Building Blocks 5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-amine

5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-amine

CAS No.:
20586-97-4
Catalog Number:
AG019M1O
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
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Product Description
Catalog Number:
AG019M1O
Chemical Name:
5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-amine
CAS Number:
20586-97-4
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD05182332
IUPAC Name:
5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C12H16N4/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h4-7H,1-3H3,(H3,13,14,15,16)
InChI Key:
CUOJWWPOIXAHTI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc([nH]1)N)(C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties