Home Nitriles 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS No.:
1253696-35-3
Catalog Number:
AG019WAV
Molecular Formula:
C8H4N4O
Molecular Weight:
172.1436
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Product Description
Catalog Number:
AG019WAV
Chemical Name:
6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Number:
1253696-35-3
Molecular Formula:
C8H4N4O
Molecular Weight:
172.1436
MDL Number:
MFCD18089373
IUPAC Name:
6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C8H4N4O/c9-1-7-3-11-12-4-6(5-13)2-10-8(7)12/h2-5H
InChI Key:
YRXCWLJVNBJLCU-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2n(c1)ncc2C#N
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.039g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.147g/mol
Monoisotopic Mass:
172.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties