Home Nitriles 5-amino-1H-1,2,4-triazole-3-carbonitrile

5-amino-1H-1,2,4-triazole-3-carbonitrile

CAS No.:
1016798-54-1
Catalog Number:
AG01AC2Q
Molecular Formula:
C3H3N5
Molecular Weight:
109.0894
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Product Description
Catalog Number:
AG01AC2Q
Chemical Name:
5-amino-1H-1,2,4-triazole-3-carbonitrile
CAS Number:
1016798-54-1
Molecular Formula:
C3H3N5
Molecular Weight:
109.0894
IUPAC Name:
3-amino-1H-1,2,4-triazole-5-carbonitrile
InChI:
InChI=1S/C3H3N5/c4-1-2-6-3(5)8-7-2/h(H3,5,6,7,8)
InChI Key:
ABNCJPUPSBOIDL-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c(n1)N
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.039g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
109.092g/mol
Monoisotopic Mass:
109.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties