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89799-12-2 | Pyrimido[5,4-e]-1,2,4-triazin-5-amine,3-methyl-
CAS No: 89799-12-2 Catalog No: AG003ZIE MDL No:
Product Description
Catalog Number:
AG003ZIE
Chemical Name:
Pyrimido[5,4-e]-1,2,4-triazin-5-amine,3-methyl-
CAS Number:
89799-12-2
Molecular Formula:
C6H6N6
Molecular Weight:
162.1520
IUPAC Name:
3-methylpyrimido[5,4-e][1,2,4]triazin-5-amine
InChI:
InChI=1S/C6H6N6/c1-3-10-4-5(7)8-2-9-6(4)12-11-3/h2H,1H3,(H2,7,8,9,12)
InChI Key:
APJPWWIJPQGZRF-UHFFFAOYSA-N
SMILES:
Cc1nnc2c(n1)c(N)ncn2
NSC Number:
71053
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.156g/mol
Monoisotopic Mass:
162.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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