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ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate structure

CAS No:
311314-88-2
Formula:
C12H17N7O3
Chemical Name:
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate
Synonyms:
Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylate;311314-88-2;1-(4-Amino-furazan-3-yl)-5-pyrrolidin-1-ylmethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester;ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate;ChemDiv1_027348;Oprea1_405200;Oprea1_863750;MLS001212457;SCHEMBL7484408;CHEMBL1583474;HMS664L02;ZINC51142;HMS2817G13;MFCD00825447;SBB001976;STK672662;AKOS000547117;MCULE-3070005404;SMR000516947;SR-01000514172;SR-01000514172-1;ethyl 1-(4-amino(1,2,5-oxadiazol-3-yl))-5-(pyrrolidinylmethyl)-1,2,3-triazole- 4-carboxylate;Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylate #

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ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate Basic Attributes

Molecular Weight：

307.31 g/mol

Exact Mass：

307.13928743 g/mol

Characteristics

PSA：

125 Å²

XLogP3：

0.5241

Melting Point：

157 - 158 °C

Water Solubility：

31.9 [ug/mL]

Computed Properties

Molecular Weight:307.31
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:307.13928743
Monoisotopic Mass:307.13928743
Topological Polar Surface Area:125
Heavy Atom Count:22
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate

Basic Attributes
Characteristics
Computed Properties
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