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88967-86-6 | 2-Propenamide, N-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-
CAS No: 88967-86-6 Catalog No: AG0045WG MDL No:
Product Description
Catalog Number:
AG0045WG
Chemical Name:
2-Propenamide, N-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-
CAS Number:
88967-86-6
Molecular Formula:
C12H12N6O
Molecular Weight:
256.2633
IUPAC Name:
N-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
InChI:
InChI=1S/C12H12N6O/c1-2-9(19)15-8-5-3-7(4-6-8)10-16-11(13)18-12(14)17-10/h2-6H,1H2,(H,15,19)(H4,13,14,16,17,18)
InChI Key:
BJJLPGKPXYNLDV-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc(cc1)c1nc(N)nc(n1)N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.269g/mol
Monoisotopic Mass:
256.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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