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113424-78-5 | 2-Pyrazinecarboxamide, 3-amino-N-butyl-6-phenyl-
CAS No: 113424-78-5 Catalog No: AG0008J5 MDL No:
Product Description
Catalog Number:
AG0008J5
Chemical Name:
2-Pyrazinecarboxamide, 3-amino-N-butyl-6-phenyl-
CAS Number:
113424-78-5
Molecular Formula:
C15H18N4O
Molecular Weight:
270.3296
IUPAC Name:
3-amino-N-butyl-6-phenylpyrazine-2-carboxamide
InChI:
InChI=1S/C15H18N4O/c1-2-3-9-17-15(20)13-14(16)18-10-12(19-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,16,18)(H,17,20)
InChI Key:
AMIYILSFKWSDMY-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1nc(cnc1N)c1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.336g/mol
Monoisotopic Mass:
270.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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