Chemical Properties of 3H-v-triazolo[4,5-d]pyrimidine, 5-amino-3-butyl-7-hydroxy-

3H-v-triazolo[4,5-d]pyrimidine, 5-amino-3-butyl-7-hydroxy-

InChI
InChI=1S/2C8H12N6O/c2*1-2-3-4-14-6-5(12-13-14)7(15)11-8(9)10-6/h2*2-4H2,1H3,(H3,9,10,11,15)
InChI Key
MZMKZJMTDOEBDJ-UHFFFAOYSA-N
Formula
C16H24N12O2
SMILES
CCCCn1nnc2c(O)nc(=N)[nH]c21.CCCCn1nnc2c(O)nc(=N)[nH]c21
Molecular Weight1
416.44
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Physical Properties

Property Value Unit Source
ω 1.3789 Relay (1.0) Calculated Property
ΔfG° 637.07 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 127.77 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 262.42 kJ/mol Relay (1.0) Calculated Property
IE 7.56 eV Relay (1.0) Calculated Property
log10WS -6.59 Relay (1.0) Calculated Property
logPoct/wat -0.685 Crippen Calculated Property
McVol 300.820 ml/mol McGowan Calculated Property
Pc 4276.82 kPa Relay (1.0-beta) Calculated Property
Tboil 748.45 K Relay (1.0) Calculated Property
Tc 1317.74 K Relay (1.0) Calculated Property
Tfus 689.05 K Relay (1.0) Calculated Property
Vc 1.071 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Erythromycin, ethyl carbonate. Adenosine, 5'-S-methyl-5'-thio-. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. risperidone. Benazepril Me. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. guanosine, TMS. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1.

Find more compounds similar to 3H-v-triazolo[4,5-d]pyrimidine, 5-amino-3-butyl-7-hydroxy-.

Sources

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