Home Other Building Blocks 2-Pyrazinamine, 3,5-diethynyl-

2-Pyrazinamine, 3,5-diethynyl-

CAS No.:
1588440-99-6
Catalog Number:
AG001QWS
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
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Product Description
Catalog Number:
AG001QWS
Chemical Name:
2-Pyrazinamine, 3,5-diethynyl-
CAS Number:
1588440-99-6
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD27923421
IUPAC Name:
3,5-diethynylpyrazin-2-amine
InChI:
InChI=1S/C8H5N3/c1-3-6-5-10-8(9)7(4-2)11-6/h1-2,5H,(H2,9,10)
InChI Key:
BVDSFBQAWMBNKJ-UHFFFAOYSA-N
SMILES:
C#Cc1cnc(c(n1)C#C)N
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties