Chemical Properties of 7-Amino-S-triazolo(1,5-a)pyrimidin-5(4H)-one (CAS 35186-69-7)

7-Amino-S-triazolo(1,5-a)pyrimidin-5(4H)-one

InChI
InChI=1S/C5H5N5O/c6-3-1-4(11)9-5-7-2-8-10(3)5/h1-2H,6H2,(H,7,8,9,11)
InChI Key
JIXZXRNBZVMIQJ-UHFFFAOYSA-N
Formula
C5H5N5O
SMILES
Nc1cc(=O)[nH]c2ncnn12
Molecular Weight1
151.13
CAS
35186-69-7
Other Names
  • s-Triazolo(1,5-a)pyrimidin-5(4H)-one, 7-amino-
  • (1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 7-amino-
  • 4,5-Dihydro-7-amino-5-oxo-S-triazolo(1,5-a)pyrimidine
  • 7-Amino-S-triazolo[1,5-a]pyrimidine-5(4H)-one
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Physical Properties

Property Value Unit Source
ω 0.6275 Relay (1.0) Calculated Property
ΔfG° 258.07 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 121.48 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 117.05 kJ/mol Relay (1.0) Calculated Property
IE 8.42 eV Relay (1.0) Calculated Property
log10WS -2.15 Relay (1.0) Calculated Property
logPoct/wat -1.482 Crippen Calculated Property
McVol 98.160 ml/mol McGowan Calculated Property
Pc 6218.11 kPa Relay (1.0-beta) Calculated Property
Tboil 636.33 K Relay (1.0) Calculated Property
Tc 960.77 K Relay (1.0) Calculated Property
Tfus 615.77 K Relay (1.0) Calculated Property
Vc 0.379 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2,6-Diamino-4-oxo-1,3,3a,7-tetrazaindene mono-hydrochloride. Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate). N-beta-hydroxyethyl-n,n'-bis-(4-(6-methyl)-1,3,3a,7-tetrazaindenyl)ethylenediamine. N6-acetyl-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. Adenosine, 2',3',5'-tris(O-TBDMSi). 2'-Deoxyadenosine, 3'-O-TBDMS. 2'-Deoxyadenosine, 5'-O-TBDMS. Adenosine, 2',3',5'-tris-O-TMS. N6-TBDMS-Adenosine, 2',3',5'-tris-O-TBDMS. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. N6-TMS-Adenosine, 2',3',5'-tris-O-TBDMS. Adenosine-tetrakis(trimethylsilyl)-. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. [2H3]Dihydrozeatin nucleotide, permethylated. SCHEMBL9488362.

Find more compounds similar to 7-Amino-S-triazolo(1,5-a)pyrimidin-5(4H)-one.

Sources

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