Home Nitriles 7-Oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-Oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

CAS No.:
89488-67-5
Catalog Number:
AG00JADU
Molecular Formula:
C6H3N5O
Molecular Weight:
161.1209
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Product Description
Catalog Number:
AG00JADU
Chemical Name:
7-Oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CAS Number:
89488-67-5
Molecular Formula:
C6H3N5O
Molecular Weight:
161.1209
MDL Number:
MFCD00194921
IUPAC Name:
7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
InChI:
InChI=1S/C6H3N5O/c7-1-4-2-8-6-9-3-10-11(6)5(4)12/h2-3H,(H,8,9,10)
InChI Key:
MSOCXWGXAHHXKE-UHFFFAOYSA-N
SMILES:
O=c1c(c[nH]c2n1ncn2)C#N
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.124g/mol
Monoisotopic Mass:
161.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties