Home Nitriles 1H-Pyrazole-4-carbonitrile, 3,5-diamino-

1H-Pyrazole-4-carbonitrile, 3,5-diamino-

CAS No.:
6844-58-2
Catalog Number:
AG00FELT
Molecular Formula:
C4H5N5
Molecular Weight:
123.1160
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Product Description
Catalog Number:
AG00FELT
Chemical Name:
1H-Pyrazole-4-carbonitrile, 3,5-diamino-
CAS Number:
6844-58-2
Molecular Formula:
C4H5N5
Molecular Weight:
123.1160
MDL Number:
MFCD14705994
IUPAC Name:
3,5-diamino-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C4H5N5/c5-1-2-3(6)8-9-4(2)7/h(H5,6,7,8,9)
InChI Key:
UKASYLSHAZSEEV-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)n[nH]c1N
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.054g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
123.119g/mol
Monoisotopic Mass:
123.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties