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143870-70-6 | 3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 3-ethyl-6-methyl-
CAS No: 143870-70-6 Catalog No: AG001IJ0 MDL No:
Product Description
Catalog Number:
AG001IJ0
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 3-ethyl-6-methyl-
CAS Number:
143870-70-6
Molecular Formula:
C7H9N5O2
Molecular Weight:
195.1787
IUPAC Name:
3-ethyl-6-methyl-4H-triazolo[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C7H9N5O2/c1-3-12-5-4(9-10-12)6(13)11(2)7(14)8-5/h3H2,1-2H3,(H,8,14)
InChI Key:
SCEUXMUVDQMZCR-UHFFFAOYSA-N
SMILES:
CCn1nnc2c1[nH]c(=O)n(c2=O)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.182g/mol
Monoisotopic Mass:
195.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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