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1632-30-0 | 2H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 2,4,6-trimethyl-
CAS No: 1632-30-0 Catalog No: AG001TV4 MDL No:
Product Description
Catalog Number:
AG001TV4
Chemical Name:
2H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 2,4,6-trimethyl-
CAS Number:
1632-30-0
Molecular Formula:
C7H9N5O2
Molecular Weight:
195.1787
IUPAC Name:
2,4,6-trimethyltriazolo[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C7H9N5O2/c1-10-5-4(8-12(3)9-5)6(13)11(2)7(10)14/h1-3H3
InChI Key:
QENRIORRNMNJEU-UHFFFAOYSA-N
SMILES:
Cn1nc2c(n1)c(=O)n(c(=O)n2C)C
Properties
Complexity:
294
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:
0
Isotope Atom Count:
0
Molecular Weight:
195.182g/mol
Monoisotopic Mass:
195.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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