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28668-13-5 | 4H-Pyrazolo[4,3-d]-1,2,3-triazin-4-one, 3-amino-3,5-dihydro-7-methyl-
CAS No: 28668-13-5 Catalog No: AG002W12 MDL No:
Product Description
Catalog Number:
AG002W12
Chemical Name:
4H-Pyrazolo[4,3-d]-1,2,3-triazin-4-one, 3-amino-3,5-dihydro-7-methyl-
CAS Number:
28668-13-5
Molecular Formula:
C5H6N6O
Molecular Weight:
166.1407
IUPAC Name:
3-amino-7-methyl-6H-pyrazolo[4,3-d]triazin-4-one
InChI:
InChI=1S/C5H6N6O/c1-2-3-4(8-7-2)5(12)11(6)10-9-3/h6H2,1H3,(H,7,8)
InChI Key:
FLMVWVXGHKDXEI-UHFFFAOYSA-N
SMILES:
Nn1nnc2c(c1=O)[nH]nc2C
NSC Number:
138567
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.144g/mol
Monoisotopic Mass:
166.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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