Home Nitriles 3-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile

3-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile

CAS No.:
1375161-32-2
Catalog Number:
AG01AK2K
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
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Product Description
Catalog Number:
AG01AK2K
Chemical Name:
3-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CAS Number:
1375161-32-2
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
MDL Number:
MFCD21602418
IUPAC Name:
3-amino-1-tert-butylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H12N4/c1-8(2,3)12-5-6(4-9)7(10)11-12/h5H,1-3H3,(H2,10,11)
InChI Key:
ARFQATVGGFKFSH-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1N)C(C)(C)C
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.106g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.212g/mol
Monoisotopic Mass:
164.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties