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1632-32-2 | 1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 1,6-dimethyl-
CAS No: 1632-32-2 Catalog No: AG001TV3 MDL No:
Product Description
Catalog Number:
AG001TV3
Chemical Name:
1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 1,6-dimethyl-
CAS Number:
1632-32-2
Molecular Formula:
C6H7N5O2
Molecular Weight:
181.1521
IUPAC Name:
1,6-dimethyl-4H-triazolo[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C6H7N5O2/c1-10-5(12)3-4(7-6(10)13)8-9-11(3)2/h1-2H3,(H,7,13)
InChI Key:
KEMJFTKAVQOUNG-UHFFFAOYSA-N
SMILES:
Cn1nnc2c1c(=O)n(c(=O)[nH]2)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.155g/mol
Monoisotopic Mass:
181.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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