Home Nitriles 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile

5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile

CAS No.:
89978-00-7
Catalog Number:
AG00H374
Molecular Formula:
C8H6N6
Molecular Weight:
186.1734
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Product Description
Catalog Number:
AG00H374
Chemical Name:
5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
CAS Number:
89978-00-7
Molecular Formula:
C8H6N6
Molecular Weight:
186.1734
MDL Number:
MFCD09056386
IUPAC Name:
5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H6N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-3,5H,10H2
InChI Key:
SIEFZVDTJZTHPL-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ncccn1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.178g/mol
Monoisotopic Mass:
186.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties