Home Carboxys ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate

ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate

CAS No.:
648430-82-4
Catalog Number:
AG019ZK0
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
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Product Description
Catalog Number:
AG019ZK0
Chemical Name:
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
CAS Number:
648430-82-4
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD18338208
IUPAC Name:
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C8H13N3O2/c1-3-5-6-9-7(11-10-6)8(12)13-4-2/h3-5H2,1-2H3,(H,9,10,11)
InChI Key:
RWOZNKGASWPXJH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(n1)CCC
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties