Chemical Properties of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester

Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester

InChI
InChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)13-14-15(9)8-6-4-3-5-7-8/h3-7H,2,12H2,1H3
InChI Key
KYWFKGSZLZLJKF-UHFFFAOYSA-N
Formula
C11H12N4O2
SMILES
CCOC(=O)c1c(N)nnn1-c1ccccc1
Molecular Weight1
232.24
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Physical Properties

Property Value Unit Source
ω 0.7361 Relay (1.0) Calculated Property
ΔfH°gas -9.06 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 94.89 kJ/mol Relay (1.0) Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
log10WS -3.42 Relay (1.0) Calculated Property
logPoct/wat 1.026 Crippen Calculated Property
McVol 169.990 ml/mol McGowan Calculated Property
Pc 3033.38 kPa Relay (1.0-beta) Calculated Property
Tboil 631.83 K Relay (1.0) Calculated Property
Tc 913.37 K Relay (1.0) Calculated Property
Tfus 432.80 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Cytosine arabinoside, buto-oxime-TMS derivative. Coumafuryl. azadirachtin. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. norbormide. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Butorphanol di-TMS derivative. Cytidine, metho-oxime-TMS derivative. Hydroxy-N-methylcytisine.

Find more compounds similar to Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester.

Sources

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