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  2. 1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, monohydrate

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, monohydrate

O=c1[nH]c(=O)c2c([nH]1)nn[nH]2.O Request for Quotation
Chemical Name: 1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, monohydrate
CAS Number: 59840-67-4
Product Number: AG00EAJ6(AGN-PC-0OCZHD)
Synonyms:
MDL No:
Molecular Formula: C4H5N5O3
Molecular Weight: 171.1142

Identification/Properties

Computed Properties
Molecular Weight:
171.116g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
171.039g/mol
Monoisotopic Mass:
171.039g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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