1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-pyrimidinyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-pyrimidinyl)-
CAS Number: 89978-00-7
Product Number: AG00H374(AGN-PC-00JBFQ)
Synonyms:
MDL No:
Molecular Formula: C8H6N6
Molecular Weight: 186.1734

Identification/Properties


Computed Properties
Molecular Weight:
186.178g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
186.065g/mol
Monoisotopic Mass:
186.065g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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