Home Other Building Blocks 1-(Pyrrolidin-3-yl)-1H-1,2,4-triazole oxalate

1-(Pyrrolidin-3-yl)-1H-1,2,4-triazole oxalate

CAS No.:
1956328-09-8
Catalog Number:
AG01D916
Molecular Formula:
C8H12N4O4
Molecular Weight:
228.2053
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01D916
Chemical Name:
1-(Pyrrolidin-3-yl)-1H-1,2,4-triazole oxalate
CAS Number:
1956328-09-8
Molecular Formula:
C8H12N4O4
Molecular Weight:
228.2053
MDL Number:
MFCD28404852
IUPAC Name:
oxalic acid;1-pyrrolidin-3-yl-1,2,4-triazole
InChI:
InChI=1S/C6H10N4.C2H2O4/c1-2-7-3-6(1)10-5-8-4-9-10;3-1(4)2(5)6/h4-7H,1-3H2;(H,3,4)(H,5,6)
InChI Key:
RFHCLSFOENOFMM-UHFFFAOYSA-N
SMILES:
C1NCC(C1)n1cncn1.OC(=O)C(=O)O
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.086g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.208g/mol
Monoisotopic Mass:
228.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties