Home Nitriles 2-(4-amino-1H-pyrazol-1-yl)acetonitrile

2-(4-amino-1H-pyrazol-1-yl)acetonitrile

CAS No.:
1152842-04-0
Catalog Number:
AG01A81Z
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
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Product Description
Catalog Number:
AG01A81Z
Chemical Name:
2-(4-amino-1H-pyrazol-1-yl)acetonitrile
CAS Number:
1152842-04-0
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
MDL Number:
MFCD11128213
IUPAC Name:
2-(4-aminopyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H6N4/c6-1-2-9-4-5(7)3-8-9/h3-4H,2,7H2
InChI Key:
XMHXCZMZXXAHRY-UHFFFAOYSA-N
SMILES:
Nc1cn(nc1)CC#N
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.131g/mol
Monoisotopic Mass:
122.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties