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1006-23-1 | 2,4,6-Pyrimidinetriamine, 5-nitroso-
CAS No: 1006-23-1 Catalog No: AG0002G7 MDL No:MFCD00006096
Product Description
Catalog Number:
AG0002G7
Chemical Name:
2,4,6-Pyrimidinetriamine, 5-nitroso-
CAS Number:
1006-23-1
Molecular Formula:
C4H6N6O
Molecular Weight:
154.1300
MDL Number:
MFCD00006096
IUPAC Name:
5-nitrosopyrimidine-2,4,6-triamine
InChI:
InChI=1S/C4H6N6O/c5-2-1(10-11)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)
InChI Key:
XLQQJSWJHHKLOK-UHFFFAOYSA-N
SMILES:
O=Nc1c(N)nc(nc1N)N
UNII:
40CQ76T75O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.06g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.133g/mol
Monoisotopic Mass:
154.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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