Home Other Building Blocks 2-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline

2-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline

CAS No.:
1147746-77-7
Catalog Number:
AG019V6O
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
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Product Description
Catalog Number:
AG019V6O
Chemical Name:
2-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline
CAS Number:
1147746-77-7
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD12197041
IUPAC Name:
2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)aniline
InChI:
InChI=1S/C11H14N4/c1-7(2)10-13-11(15-14-10)8-5-3-4-6-9(8)12/h3-7H,12H2,1-2H3,(H,13,14,15)
InChI Key:
AQXJICYQPAOGGM-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1[nH]nc(n1)C(C)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties