Chemical Properties of [1,2,5]Oxadiazolo[3,4-d]pyrimidine, 5,7-diamino-, 1-oxide (CAS 16206-19-2)

[1,2,5]Oxadiazolo[3,4-d]pyrimidine, 5,7-diamino-, 1-oxide

InChI
InChI=1S/C4H4N6O2/c5-2-1-3(8-4(6)7-2)9-12-10(1)11/h(H4,5,6,7,8,9)
InChI Key
QRAJKLHQNILRIW-UHFFFAOYSA-N
Formula
C4H4N6O2
SMILES
Nc1nc(N)c2c(no[n+]2[O-])n1
Molecular Weight1
168.11
CAS
16206-19-2
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Physical Properties

Property Value Unit Source
ω 0.6888 Relay (1.0) Calculated Property
ΔfG° 433.88 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 329.94 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 102.97 kJ/mol Relay (1.0) Calculated Property
IE 8.89 eV Relay (1.0) Calculated Property
log10WS -3.24 Relay (1.0) Calculated Property
logPoct/wat -1.584 Crippen Calculated Property
McVol 99.920 ml/mol McGowan Calculated Property
Pc 5449.55 kPa Relay (1.0-beta) Calculated Property
Tboil 559.13 K Relay (1.0) Calculated Property
Tc 950.96 K Relay (1.0) Calculated Property
Tfus 584.22 K Relay (1.0) Calculated Property
Vc 0.385 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Purine, 2,6-bis(benzamido)-. 3-Ethyl-2-isopropyl-3,5-dimethyl-1,4,2-diazaphosphorine-2-oxide. trans-Anthracene, 1,2-dihydro-1,2-diol, diacetate. Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-6-(hydroxymethyl)-1,6-dimethyl-, (-)-. Cytidine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate). 9H-purine, 2,6-diamino-9-benzyl-. Cytidine, acetyl methyl derivative. Dimetindene M (nor), acetylated. Methotrexate. 1,6-Dihydrochromolaenin. Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-. Estrone, 4-chlorobutyrate. [2H3]Dihydrozeatin nucleotide, permethylated. SCHEMBL9488362. Zidovudine.

Find more compounds similar to [1,2,5]Oxadiazolo[3,4-d]pyrimidine, 5,7-diamino-, 1-oxide.

Sources

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