Home Carboxys ethyl 3-(pyrrolidin-2-yl)-1H-1,2,4-triazole-5-carboxylate

ethyl 3-(pyrrolidin-2-yl)-1H-1,2,4-triazole-5-carboxylate

CAS No.:
1530839-86-1
Catalog Number:
AG01BXI9
Molecular Formula:
C9H14N4O2
Molecular Weight:
210.2331
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Product Description
Catalog Number:
AG01BXI9
Chemical Name:
ethyl 3-(pyrrolidin-2-yl)-1H-1,2,4-triazole-5-carboxylate
CAS Number:
1530839-86-1
Molecular Formula:
C9H14N4O2
Molecular Weight:
210.2331
MDL Number:
MFCD21740974
IUPAC Name:
ethyl 5-pyrrolidin-2-yl-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C9H14N4O2/c1-2-15-9(14)8-11-7(12-13-8)6-4-3-5-10-6/h6,10H,2-5H2,1H3,(H,11,12,13)
InChI Key:
NONKSYXBBZHGBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(n1)C1CCCN1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.112g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.237g/mol
Monoisotopic Mass:
210.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties